[2-[4-(4-bromophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-chloranyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-[4-(4-bromophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-chloranyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-[4-(4-bromobenzoyl)oxyphenyl]-2-oxo-ethyl] 6-chloro-2-phenyl-quinoline-4-carboxylate CAS Name: 6-chloro-2-phenyl-4-quinolinecarboxylic acid [2-[4-[(4-bromophenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-bromobenzoyl)oxyphenyl]-2-oxoethyl] 6-chloro-2-phenylquinoline-4-carboxylate Traditional Name: 6-chloro-2-phenyl-cinchoninic acid [2-[4-(4-bromobenzoyl)oxyphenyl]-2-keto-ethyl] ester Formula: C31H19BrClNO5 MolecularWeight: 600.84326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C31H19BrClNO5/c32-22-10-6-21(7-11-22)30(36)39-24-13-8-20(9-14-24)29(35)18-38-31(37)26-17-28(19-4-2-1-3-5-19)34-27-15-12-23(33)16-25(26)27/h1-17H,18H2