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

Systemtic Name: [(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 2,3-dimethylquinoline-4-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl] 2,3-dimethylquinoline-4-carboxylate CAS Name: 2,3-dimethyl-4-quinolinecarboxylic acid [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2,3-dimethylquinoline-4-carboxylate Traditional Name: 2,3-dimethylcinchoninic acid [(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C22H21NO3 MolecularWeight: 347.40704

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO3/c1-13-9-11-17(12-10-13)21(24)16(4)26-22(25)20-14(2)15(3)23-19-8-6-5-7-18(19)20/h5-12,16H,1-4H3/t16-/m0/s1