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

Systemtic Name: [2-[4-(4-methylphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-7,8-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-[4-(4-methylbenzoyl)oxyphenyl]-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-6-bromo-7,8-dimethyl-quinoline-4-carboxylate CAS Name: 6-bromo-7,8-dimethyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [2-[4-[(4-methylphenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylbenzoyl)oxyphenyl]-2-oxoethyl] 6-bromo-7,8-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-6-bromo-7,8-dimethyl-cinchoninic acid [2-keto-2-(4-p-toluoyloxyphenyl)ethyl] ester Formula: C41H32BrNO6 MolecularWeight: 714.59988

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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=C(C(=C(C=C34)Br)C)C)C5=CC=C(C=C5)OCC6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=NC4=C(C(=C(C=C34)Br)C)C)C5=CC=C(C=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C41H32BrNO6/c1-25-9-11-31(12-10-25)40(45)49-33-19-15-30(16-20-33)38(44)24-48-41(46)35-22-37(43-39-27(3)26(2)36(42)21-34(35)39)29-13-17-32(18-14-29)47-23-28-7-5-4-6-8-28/h4-22H,23-24H2,1-3H3