[2-[4-(4-methylphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-7-chloranyl-3,8-dimethyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-[4-(4-methylphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-7-chloranyl-3,8-dimethyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-[4-(4-methylbenzoyl)oxyphenyl]-2-oxo-ethyl] 6-bromo-7-chloro-3,8-dimethyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-7-chloro-3,8-dimethyl-2-phenyl-4-quinolinecarboxylic acid [2-[4-[(4-methylphenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylbenzoyl)oxyphenyl]-2-oxoethyl] 6-bromo-7-chloro-3,8-dimethyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-7-chloro-3,8-dimethyl-2-phenyl-cinchoninic acid [2-keto-2-(4-p-toluoyloxyphenyl)ethyl] ester Formula: C34H25BrClNO5 MolecularWeight: 642.923

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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=C(C(=NC4=C(C(=C(C=C34)Br)Cl)C)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)COC(=O)C3=C(C(=NC4=C(C(=C(C=C34)Br)Cl)C)C5=CC=CC=C5)C

InChI

InChI=1S/C34H25BrClNO5/c1-19-9-11-24(12-10-19)33(39)42-25-15-13-22(14-16-25)28(38)18-41-34(40)29-20(2)31(23-7-5-4-6-8-23)37-32-21(3)30(36)27(35)17-26(29)32/h4-17H,18H2,1-3H3