[(2S)-3-oxidanylidenebutan-2-yl] 2,4-dimethylquinoline-3-carboxylate

Systemtic Name: [(2S)-3-oxidanylidenebutan-2-yl] 2,4-dimethylquinoline-3-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-propyl] 2,4-dimethylquinoline-3-carboxylate CAS Name: 2,4-dimethyl-3-quinolinecarboxylic acid [(2S)-3-oxobutan-2-yl] ester IUPAC Name: [(2S)-3-oxobutan-2-yl] 2,4-dimethylquinoline-3-carboxylate Traditional Name: 2,4-dimethylquinoline-3-carboxylic acid [(1S)-2-keto-1-methyl-propyl] ester Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OC(C)C(=O)C

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)O[C@@H](C)C(=O)C

InChI

InChI=1S/C16H17NO3/c1-9-13-7-5-6-8-14(13)17-10(2)15(9)16(19)20-12(4)11(3)18/h5-8,12H,1-4H3/t12-/m0/s1