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

Systemtic Name: [(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate CAS Name: 2-(3-chlorophenyl)-3-methyl-4-quinolinecarboxylic acid [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate Traditional Name: 2-(3-chlorophenyl)-3-methyl-cinchoninic acid [(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C27H22ClNO3 MolecularWeight: 443.92148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC(=CC=C4)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC(=CC=C4)Cl)C

InChI

InChI=1S/C27H22ClNO3/c1-16-11-13-19(14-12-16)26(30)18(3)32-27(31)24-17(2)25(20-7-6-8-21(28)15-20)29-23-10-5-4-9-22(23)24/h4-15,18H,1-3H3/t18-/m0/s1