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

Systemtic Name: [2-[4-(4-methylphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)-6-chloranyl-quinoline-4-carboxylate Openeye Name: [2-[4-(4-methylbenzoyl)oxyphenyl]-2-oxo-ethyl] 2-(4-bromophenyl)-6-chloro-quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-6-chloro-4-quinolinecarboxylic acid [2-[4-[(4-methylphenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylbenzoyl)oxyphenyl]-2-oxoethyl] 2-(4-bromophenyl)-6-chloroquinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)-6-chloro-cinchoninic acid [2-keto-2-(4-p-toluoyloxyphenyl)ethyl] ester Formula: C32H21BrClNO5 MolecularWeight: 614.86984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC=C(C=C5)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC=C(C=C5)Br

InChI

InChI=1S/C32H21BrClNO5/c1-19-2-4-22(5-3-19)31(37)40-25-13-8-21(9-14-25)30(36)18-39-32(38)27-17-29(20-6-10-23(33)11-7-20)35-28-15-12-24(34)16-26(27)28/h2-17H,18H2,1H3