[4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: [4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: [4-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)propanoic acid [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] 3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)propionic acid [4-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)N)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)N)OC)OC

InChI

InChI=1S/C22H22N2O6/c1-27-17-7-4-14(11-19(17)28-2)6-9-21(25)30-18-8-5-15(12-20(18)29-3)10-16(13-23)22(24)26/h4-5,7-8,10-12H,6,9H2,1-3H3,(H2,24,26)/b16-10+