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

Systemtic Name: [2-[4-(4-methylphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-2-(3-methoxyphenyl)-7,8-dimethyl-quinoline-4-carboxylate Openeye Name: [2-[4-(4-methylbenzoyl)oxyphenyl]-2-oxo-ethyl] 6-bromo-2-(3-methoxyphenyl)-7,8-dimethyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-(3-methoxyphenyl)-7,8-dimethyl-4-quinolinecarboxylic acid [2-[4-[(4-methylphenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylbenzoyl)oxyphenyl]-2-oxoethyl] 6-bromo-2-(3-methoxyphenyl)-7,8-dimethylquinoline-4-carboxylate Traditional Name: 6-bromo-2-(3-methoxyphenyl)-7,8-dimethyl-cinchoninic acid [2-keto-2-(4-p-toluoyloxyphenyl)ethyl] ester Formula: C35H28BrNO6 MolecularWeight: 638.50392

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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(=CC=C5)OC

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(=CC=C5)OC

InChI

InChI=1S/C35H28BrNO6/c1-20-8-10-24(11-9-20)34(39)43-26-14-12-23(13-15-26)32(38)19-42-35(40)29-18-31(25-6-5-7-27(16-25)41-4)37-33-22(3)21(2)30(36)17-28(29)33/h5-18H,19H2,1-4H3