4-[(E)-2-cyano-3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-2-cyano-3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-cyano-3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-cyano-3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-cyano-3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-cyano-3-(homoveratrylamino)-3-keto-prop-1-enyl]benzoic acid Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C(=CC2=CC=C(C=C2)C(=O)O)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)/C(=C/C2=CC=C(C=C2)C(=O)O)/C#N)OC

InChI

InChI=1S/C21H20N2O5/c1-27-18-8-5-15(12-19(18)28-2)9-10-23-20(24)17(13-22)11-14-3-6-16(7-4-14)21(25)26/h3-8,11-12H,9-10H2,1-2H3,(H,23,24)(H,25,26)/b17-11+