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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)N2CCC(CC2)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C17H23NO3/c1-3-13-4-6-14(7-5-13)16(19)12(2)18-10-8-15(9-11-18)17(20)21/h4-7,12,15H,3,8-11H2,1-2H3,(H,20,21)/t12-/m0/s1