[2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate Openeye Name: [2-[(3-chlorophenyl)methylamino]-2-oxo-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-phenylphenyl)-4-quinolinecarboxylic acid [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-phenylphenyl)cinchoninic acid [2-[(3-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C31H23ClN2O3 MolecularWeight: 506.97892

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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)NCC5=CC(=CC=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(=O)NCC5=CC(=CC=C5)Cl

InChI

InChI=1S/C31H23ClN2O3/c32-25-10-6-7-21(17-25)19-33-30(35)20-37-31(36)27-18-29(34-28-12-5-4-11-26(27)28)24-15-13-23(14-16-24)22-8-2-1-3-9-22/h1-18H,19-20H2,(H,33,35)