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

Systemtic Name: [2-[4-(2-methoxyphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-7-chloranyl-8-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-[4-(2-methoxybenzoyl)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-methoxyphenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-methoxybenzoyl)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-anisoyloxyphenyl)ethyl] ester Formula: C40H29BrClNO7 MolecularWeight: 751.01776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1Cl)Br)C(=CC(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OCC(=O)C5=CC=C(C=C5)OC(=O)C6=CC=CC=C6OC

Isomeric SMILES

CC1=C2C(=CC(=C1Cl)Br)C(=CC(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OCC(=O)C5=CC=C(C=C5)OC(=O)C6=CC=CC=C6OC

InChI

InChI=1S/C40H29BrClNO7/c1-24-37(42)33(41)20-31-32(21-34(43-38(24)31)26-12-16-28(17-13-26)48-22-25-8-4-3-5-9-25)39(45)49-23-35(44)27-14-18-29(19-15-27)50-40(46)30-10-6-7-11-36(30)47-2/h3-21H,22-23H2,1-2H3