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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)O[C@@H](C)C(=O)C4=CC(=CC=C4)Cl

InChI

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