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

Systemtic Name: [4-[(E)-2-cyano-3-[(3,4-dimethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] propanoate Openeye Name: [4-[(E)-2-cyano-3-(3,4-dimethylanilino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] propanoate CAS Name: propanoic acid [4-[(E)-2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] propanoate Traditional Name: propionic acid [4-[(E)-2-cyano-3-(3,4-dimethylanilino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC(=C(C=C2)C)C)OC

Isomeric SMILES

CCC(=O)OC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC(=C(C=C2)C)C)OC

InChI

InChI=1S/C22H22N2O4/c1-5-21(25)28-19-9-7-16(12-20(19)27-4)11-17(13-23)22(26)24-18-8-6-14(2)15(3)10-18/h6-12H,5H2,1-4H3,(H,24,26)/b17-11+