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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO3/c1-11-4-5-15(12(2)10-11)16(19)13(3)18-8-6-14(7-9-18)17(20)21/h4-5,10,13-14H,6-9H2,1-3H3,(H,20,21)/t13-/m0/s1