[2-[4-(3-methoxyphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-7-chloranyl-8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[4-(3-methoxyphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-7-chloranyl-8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-[4-(3-methoxybenzoyl)oxyphenyl]-2-oxo-ethyl] 6-bromo-7-chloro-8-methyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-bromo-7-chloro-8-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-[4-[(3-methoxyphenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methoxybenzoyl)oxyphenyl]-2-oxoethyl] 6-bromo-7-chloro-8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-7-chloro-8-methyl-2-(p-tolyl)cinchoninic acid [2-keto-2-(4-m-anisoyloxyphenyl)ethyl] ester Formula: C34H25BrClNO6 MolecularWeight: 658.9224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C(=C(C=C3C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC(=CC=C5)OC)Br)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C(=C(C=C3C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC(=CC=C5)OC)Br)Cl)C

InChI

InChI=1S/C34H25BrClNO6/c1-19-7-9-21(10-8-19)29-17-27(26-16-28(35)31(36)20(2)32(26)37-29)34(40)42-18-30(38)22-11-13-24(14-12-22)43-33(39)23-5-4-6-25(15-23)41-3/h4-17H,18H2,1-3H3