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

Systemtic Name: [3-[(E)-2-cyano-3-oxidanylidene-3-(1-phenylethylamino)prop-1-enyl]phenyl] 4-methylbenzoate Openeye Name: [3-[(E)-2-cyano-3-oxo-3-(1-phenylethylamino)prop-1-enyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [3-[(E)-2-cyano-3-oxo-3-(1-phenylethylamino)prop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-2-cyano-3-oxo-3-(1-phenylethylamino)prop-1-enyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [3-[(E)-2-cyano-3-keto-3-(1-phenylethylamino)prop-1-enyl]phenyl] ester Formula: C26H22N2O3 MolecularWeight: 410.46448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C=C(C#N)C(=O)NC(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)/C=C(\C#N)/C(=O)NC(C)C3=CC=CC=C3

InChI

InChI=1S/C26H22N2O3/c1-18-11-13-22(14-12-18)26(30)31-24-10-6-7-20(16-24)15-23(17-27)25(29)28-19(2)21-8-4-3-5-9-21/h3-16,19H,1-2H3,(H,28,29)/b23-15+