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

Systemtic Name: [2-[4-(2-methylphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-8-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-[4-(2-methylbenzoyl)oxyphenyl]-2-oxo-ethyl] 6-bromo-8-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-8-methyl-2-phenyl-4-quinolinecarboxylic acid [2-[4-[(2-methylphenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-methylbenzoyl)oxyphenyl]-2-oxoethyl] 6-bromo-8-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-8-methyl-2-phenyl-cinchoninic acid [2-keto-2-(4-o-toluoyloxyphenyl)ethyl] ester Formula: C33H24BrNO5 MolecularWeight: 594.45136

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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)C)C5=CC=CC=C5

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)C)C5=CC=CC=C5

InChI

InChI=1S/C33H24BrNO5/c1-20-8-6-7-11-26(20)33(38)40-25-14-12-23(13-15-25)30(36)19-39-32(37)28-18-29(22-9-4-3-5-10-22)35-31-21(2)16-24(34)17-27(28)31/h3-18H,19H2,1-2H3