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

Systemtic Name: [4-[(E)-2-cyano-3-[(4-methylphenyl)methylamino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] benzoate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-(p-tolylmethylamino)prop-1-enyl]-2-ethoxy-phenyl] benzoate CAS Name: benzoic acid [4-[(E)-2-cyano-3-[(4-methylphenyl)methylamino]-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-[(4-methylphenyl)methylamino]-3-oxoprop-1-enyl]-2-ethoxyphenyl] benzoate Traditional Name: benzoic acid [4-[(E)-2-cyano-3-keto-3-[(4-methylbenzyl)amino]prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C27H24N2O4 MolecularWeight: 440.49046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CC=C(C=C2)C)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC2=CC=C(C=C2)C)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H24N2O4/c1-3-32-25-16-21(13-14-24(25)33-27(31)22-7-5-4-6-8-22)15-23(17-28)26(30)29-18-20-11-9-19(2)10-12-20/h4-16H,3,18H2,1-2H3,(H,29,30)/b23-15+