[2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-(4-methylanilino)-2-oxo-1-phenyl-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-(4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-keto-1-phenyl-2-(p-toluidino)ethyl] ester Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3O4/c1-17-7-11-21(12-8-17)28-24(30)23(18-5-3-2-4-6-18)32-25(31)19-9-13-20(14-10-19)27-22(29)15-16-26/h2-14,23H,15H2,1H3,(H,27,29)(H,28,30)