[(2R)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 7-chloranyl-8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [(2R)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 7-chloranyl-8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(p-tolyl)ethyl] 7-chloro-8-methyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 7-chloro-8-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 7-chloro-8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 7-chloro-8-methyl-2-(p-tolyl)cinchoninic acid [(1R)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C28H24ClNO3 MolecularWeight: 457.94806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)O[C@H](C)C(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H24ClNO3/c1-16-5-9-20(10-6-16)25-15-23(22-13-14-24(29)18(3)26(22)30-25)28(32)33-19(4)27(31)21-11-7-17(2)8-12-21/h5-15,19H,1-4H3/t19-/m1/s1