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

Systemtic Name: methyl 4-[(E)-2-cyano-3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-2-cyano-3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-2-cyano-3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-cyano-3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-2-cyano-3-(homoveratrylamino)-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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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)OC)C#N)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5/c1-27-19-9-6-16(13-20(19)28-2)10-11-24-21(25)18(14-23)12-15-4-7-17(8-5-15)22(26)29-3/h4-9,12-13H,10-11H2,1-3H3,(H,24,25)/b18-12+