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

Systemtic Name: (3R)-1-[(2S)-1-(4-chloranyl-3-methyl-phenyl)-1-oxidanylidene-propan-2-yl]piperidine-3-carboxylic acid Openeye Name: (3R)-1-[(1S)-2-(4-chloro-3-methyl-phenyl)-1-methyl-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: (3R)-1-[(2S)-1-(4-chloro-3-methylphenyl)-1-oxopropan-2-yl]-3-piperidinecarboxylic acid IUPAC Name: (3R)-1-[(2S)-1-(4-chloro-3-methylphenyl)-1-oxopropan-2-yl]piperidine-3-carboxylic acid Traditional Name: (3R)-1-[(1S)-2-(4-chloro-3-methyl-phenyl)-2-keto-1-methyl-ethyl]nipecotic 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)N2CCCC(C2)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)[C@H](C)N2CCC[C@H](C2)C(=O)O)Cl

InChI

InChI=1S/C16H20ClNO3/c1-10-8-12(5-6-14(10)17)15(19)11(2)18-7-3-4-13(9-18)16(20)21/h5-6,8,11,13H,3-4,7,9H2,1-2H3,(H,20,21)/t11-,13+/m0/s1