[1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 6-bromanyl-2-(3,4-dimethylphenyl)quinoline-4-carboxylate

Systemtic Name: [1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 6-bromanyl-2-(3,4-dimethylphenyl)quinoline-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(p-tolyl)ethyl] 6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(3,4-dimethylphenyl)-4-quinolinecarboxylic acid [1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylphenyl)-1-oxopropan-2-yl] 6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(3,4-dimethylphenyl)cinchoninic acid [2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C28H24BrNO3 MolecularWeight: 502.39906

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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=C(C=C3)Br)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C28H24BrNO3/c1-16-5-8-20(9-6-16)27(31)19(4)33-28(32)24-15-26(21-10-7-17(2)18(3)13-21)30-25-12-11-22(29)14-23(24)25/h5-15,19H,1-4H3