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

Systemtic Name: [2-[4-(2-methylphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-7-chloranyl-8-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-[4-(2-methylbenzoyl)oxyphenyl]-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-6-bromo-7-chloro-8-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-7-chloro-8-methyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [2-[4-[(2-methylphenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-methylbenzoyl)oxyphenyl]-2-oxoethyl] 6-bromo-7-chloro-8-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-6-bromo-7-chloro-8-methyl-cinchoninic acid [2-keto-2-(4-o-toluoyloxyphenyl)ethyl] ester Formula: C40H29BrClNO6 MolecularWeight: 735.01836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=NC4=C(C(=C(C=C34)Br)Cl)C)C5=CC=C(C=C5)OCC6=CC=CC=C6

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=NC4=C(C(=C(C=C34)Br)Cl)C)C5=CC=C(C=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C40H29BrClNO6/c1-24-8-6-7-11-31(24)40(46)49-30-18-14-28(15-19-30)36(44)23-48-39(45)33-21-35(43-38-25(2)37(42)34(41)20-32(33)38)27-12-16-29(17-13-27)47-22-26-9-4-3-5-10-26/h3-21H,22-23H2,1-2H3