[4-[(E)-2-cyano-3-[(4-methylphenyl)methylamino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] benzoate

Systemtic Name: [4-[(E)-2-cyano-3-[(4-methylphenyl)methylamino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] benzoate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-(p-tolylmethylamino)prop-1-enyl]-2-methoxy-phenyl] benzoate CAS Name: benzoic acid [4-[(E)-2-cyano-3-[(4-methylphenyl)methylamino]-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-[(4-methylphenyl)methylamino]-3-oxoprop-1-enyl]-2-methoxyphenyl] benzoate Traditional Name: benzoic acid [4-[(E)-2-cyano-3-keto-3-[(4-methylbenzyl)amino]prop-1-enyl]-2-methoxy-phenyl] ester Formula: C26H22N2O4 MolecularWeight: 426.46388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(=CC2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)OC)C#N

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)/C(=C/C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)OC)/C#N

InChI

InChI=1S/C26H22N2O4/c1-18-8-10-19(11-9-18)17-28-25(29)22(16-27)14-20-12-13-23(24(15-20)31-2)32-26(30)21-6-4-3-5-7-21/h3-15H,17H2,1-2H3,(H,28,29)/b22-14+