[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-phenylquinolin-4-yl)carbonylamino]benzoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-phenylquinolin-4-yl)carbonylamino]benzoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 2-[(2-phenylquinoline-4-carbonyl)amino]benzoate CAS Name: 2-[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]benzoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 2-[(2-phenylquinoline-4-carbonyl)amino]benzoate Traditional Name: 2-[(2-phenylquinoline-4-carbonyl)amino]benzoic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C32H22N4O4 MolecularWeight: 526.54148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4C(=O)OCC(=O)NC5=CC=CC(=C5)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4C(=O)OCC(=O)NC5=CC=CC(=C5)C#N

InChI

InChI=1S/C32H22N4O4/c33-19-21-9-8-12-23(17-21)34-30(37)20-40-32(39)25-14-5-7-16-28(25)36-31(38)26-18-29(22-10-2-1-3-11-22)35-27-15-6-4-13-24(26)27/h1-18H,20H2,(H,34,37)(H,36,38)