<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">343893</id>
  <title nil="true"/>
  <common-name>Ethyl 2-cyano-3,3-dinaphthalen-1-ylpropanoate</common-name>
  <description>Ethyl 2-cyano-3,3-dinaphthalen-1-ylpropanoate is a chemical compound with the formula C26H21NO2. It has an average molecular weight of 379.40 g/mol.</description>
  <cas>62875-52-9</cas>
  <pubchem-id>246643</pubchem-id>
  <chemical-formula>C26H21NO2</chemical-formula>
  <weight>379.4</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-31T05:30:36Z</created-at>
  <updated-at type="dateTime">2026-08-31T05:30:36Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCOC(=O)C(C#N)C(C1=CC=CC2=CC=CC=C21)C3=CC=CC4=CC=CC=C43</moldb-smiles>
  <moldb-formula>C26H21NO2</moldb-formula>
  <moldb-inchi>InChI=1S/C26H21NO2/c1-2-29-26(28)24(17-27)25(22-15-7-11-18-9-3-5-13-20(18)22)23-16-8-12-19-10-4-6-14-21(19)23/h3-16,24-25H,2H2,1H3</moldb-inchi>
  <moldb-inchikey>RRDOGGURDLJRMR-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">379.1572289</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.3</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM339786</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>Ethyl 2-cyano-3,3-dinaphthalen-1-ylpropanoate</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Naphthalenes</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0294267</sync-id>
  <structure-inchikey>RRDOGGURDLJRMR-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000040000800000000000000010000000000000000000000400000000000002000000000080000000000000000000000000000000000000000000000000000000001004000000000000000020000020000100000000000000000000000200010000000000000000000000000000000000000000000000000000000001000040000001810080000000000004000000000100000000020000000000000400000000000000040040088000000000000000000000000000000000000000000000040000000000002000000000000000004000002000000200000000000000002000000001000040000000000400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ�������������������� ���€���`�������`�������(�������(�������(�������`�������(�������(�������`������@(������@h�������@h�������@h�������@(������@h�������@h�������@h�������@h�������@(������@(������@h�������@h�������@h�������@(������@h�������@h�������@h�������@h�������@(�������������� ��(���������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:43:13Z</structure-indexed-at>
</compound>
