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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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