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

Systemtic Name: [(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 6-bromanyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl] 6-bromo-3-methyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-bromo-3-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 6-bromo-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-3-methyl-2-(p-tolyl)cinchoninic acid [(1S)-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)C2=C(C(=C3C=C(C=CC3=N2)Br)C(=O)OC(C)C(=O)C4=CC=C(C=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)Br)C(=O)O[C@@H](C)C(=O)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C28H24BrNO3/c1-16-5-9-20(10-6-16)26-18(3)25(23-15-22(29)13-14-24(23)30-26)28(32)33-19(4)27(31)21-11-7-17(2)8-12-21/h5-15,19H,1-4H3/t19-/m0/s1