[2-[4-(2-chlorophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 2-phenylquinoline-4-carboxylate

Systemtic Name: [2-[4-(2-chlorophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 2-phenylquinoline-4-carboxylate Openeye Name: [2-[4-(2-chlorobenzoyl)oxyphenyl]-2-oxo-ethyl] 2-phenylquinoline-4-carboxylate CAS Name: 2-phenyl-4-quinolinecarboxylic acid [2-[4-[(2-chlorophenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-chlorobenzoyl)oxyphenyl]-2-oxoethyl] 2-phenylquinoline-4-carboxylate Traditional Name: 2-phenylcinchoninic acid [2-[4-(2-chlorobenzoyl)oxyphenyl]-2-keto-ethyl] ester Formula: C31H20ClNO5 MolecularWeight: 521.9472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=CC=C5Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=CC=C5Cl

InChI

InChI=1S/C31H20ClNO5/c32-26-12-6-4-11-24(26)31(36)38-22-16-14-21(15-17-22)29(34)19-37-30(35)25-18-28(20-8-2-1-3-9-20)33-27-13-7-5-10-23(25)27/h1-18H,19H2