1-[(2S)-1-(4-chloranyl-3-methyl-phenyl)-1-oxidanylidene-propan-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2S)-1-(4-chloranyl-3-methyl-phenyl)-1-oxidanylidene-propan-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[(1S)-2-(4-chloro-3-methyl-phenyl)-1-methyl-2-oxo-ethyl]piperidine-4-carboxylic acid CAS Name: 1-[(2S)-1-(4-chloro-3-methylphenyl)-1-oxopropan-2-yl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2S)-1-(4-chloro-3-methylphenyl)-1-oxopropan-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[(1S)-2-(4-chloro-3-methyl-phenyl)-2-keto-1-methyl-ethyl]isonipecotic acid Formula: C16H20ClNO3 MolecularWeight: 309.7879

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)C(C)N2CCC(CC2)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)[C@H](C)N2CCC(CC2)C(=O)O)Cl

InChI

InChI=1S/C16H20ClNO3/c1-10-9-13(3-4-14(10)17)15(19)11(2)18-7-5-12(6-8-18)16(20)21/h3-4,9,11-12H,5-8H2,1-2H3,(H,20,21)/t11-/m0/s1