[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate Openeye Name: [2-(2-cyanoanilino)-2-oxo-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-phenylphenyl)-4-quinolinecarboxylic acid [2-(2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoanilino)-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-phenylphenyl)cinchoninic acid [2-(2-cyanoanilino)-2-keto-ethyl] ester Formula: C31H21N3O3 MolecularWeight: 483.51674

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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=CC=CC=C5C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(=O)NC5=CC=CC=C5C#N

InChI

InChI=1S/C31H21N3O3/c32-19-24-10-4-6-12-27(24)34-30(35)20-37-31(36)26-18-29(33-28-13-7-5-11-25(26)28)23-16-14-22(15-17-23)21-8-2-1-3-9-21/h1-18H,20H2,(H,34,35)