[1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 2-(4-bromophenyl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: [1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 2-(4-bromophenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(p-tolyl)ethyl] 2-(4-bromophenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-8-methyl-4-quinolinecarboxylic acid [1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylphenyl)-1-oxopropan-2-yl] 2-(4-bromophenyl)-8-methylquinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)-8-methyl-cinchoninic acid [2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C27H22BrNO3 MolecularWeight: 488.37248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=NC3=C2C=CC=C3C)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=NC3=C2C=CC=C3C)C4=CC=C(C=C4)Br

InChI

InChI=1S/C27H22BrNO3/c1-16-7-9-20(10-8-16)26(30)18(3)32-27(31)23-15-24(19-11-13-21(28)14-12-19)29-25-17(2)5-4-6-22(23)25/h4-15,18H,1-3H3