(2S,3R)-2-(4-chlorophenyl)-6-oxidanylidene-1-pentan-3-yl-piperidine-3-carboxylic acid

Systemtic Name: (2S,3R)-2-(4-chlorophenyl)-6-oxidanylidene-1-pentan-3-yl-piperidine-3-carboxylic acid Openeye Name: (2S,3R)-2-(4-chlorophenyl)-1-(1-ethylpropyl)-6-oxo-piperidine-3-carboxylic acid CAS Name: (2S,3R)-2-(4-chlorophenyl)-6-oxo-1-pentan-3-yl-3-piperidinecarboxylic acid IUPAC Name: (2S,3R)-2-(4-chlorophenyl)-6-oxo-1-pentan-3-ylpiperidine-3-carboxylic acid Traditional Name: (2S,3R)-2-(4-chlorophenyl)-1-(1-ethylpropyl)-6-keto-nipecotic acid Formula: C17H22ClNO3 MolecularWeight: 323.81448

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C(C(CCC1=O)C(=O)O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCC(CC)N1[C@@H]([C@@H](CCC1=O)C(=O)O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H22ClNO3/c1-3-13(4-2)19-15(20)10-9-14(17(21)22)16(19)11-5-7-12(18)8-6-11/h5-8,13-14,16H,3-4,9-10H2,1-2H3,(H,21,22)/t14-,16-/m1/s1