[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-phenylphenyl)-4-quinolinecarboxylic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-phenylphenyl)cinchoninic acid [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C31H20ClN3O3 MolecularWeight: 517.9618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(=O)NC5=C(C=CC(=C5)Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(=O)NC5=C(C=CC(=C5)Cl)C#N

InChI

InChI=1S/C31H20ClN3O3/c32-24-15-14-23(18-33)28(16-24)35-30(36)19-38-31(37)26-17-29(34-27-9-5-4-8-25(26)27)22-12-10-21(11-13-22)20-6-2-1-3-7-20/h1-17H,19H2,(H,35,36)