(3R)-1-[(2S)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl]piperidine-3-carboxylic acid

Systemtic Name: (3R)-1-[(2S)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl]piperidine-3-carboxylic acid Openeye Name: (3R)-1-[(1S)-2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: (3R)-1-[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-3-piperidinecarboxylic acid IUPAC Name: (3R)-1-[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]piperidine-3-carboxylic acid Traditional Name: (3R)-1-[(1S)-2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl]nipecotic acid Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)N2CCCC(C2)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO3/c1-11-6-7-14(9-12(11)2)16(19)13(3)18-8-4-5-15(10-18)17(20)21/h6-7,9,13,15H,4-5,8,10H2,1-3H3,(H,20,21)/t13-,15+/m0/s1