[(2S)-1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 2,3-dimethylquinoline-4-carboxylate

Systemtic Name: [(2S)-1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 2,3-dimethylquinoline-4-carboxylate Openeye Name: [(1S)-2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl] 2,3-dimethylquinoline-4-carboxylate CAS Name: 2,3-dimethyl-4-quinolinecarboxylic acid [(2S)-1-(3-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-chlorophenyl)-1-oxopropan-2-yl] 2,3-dimethylquinoline-4-carboxylate Traditional Name: 2,3-dimethylcinchoninic acid [(1S)-2-(3-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H18ClNO3 MolecularWeight: 367.82552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C)C(=O)OC(C)C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C)C(=O)O[C@@H](C)C(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H18ClNO3/c1-12-13(2)23-18-10-5-4-9-17(18)19(12)21(25)26-14(3)20(24)15-7-6-8-16(22)11-15/h4-11,14H,1-3H3/t14-/m0/s1