(2S,3R)-2-(2-chlorophenyl)-1-cyclohexyl-6-oxidanylidene-piperidine-3-carboxylic acid

Systemtic Name: (2S,3R)-2-(2-chlorophenyl)-1-cyclohexyl-6-oxidanylidene-piperidine-3-carboxylic acid Openeye Name: (2S,3R)-2-(2-chlorophenyl)-1-cyclohexyl-6-oxo-piperidine-3-carboxylic acid CAS Name: (2S,3R)-2-(2-chlorophenyl)-1-cyclohexyl-6-oxo-3-piperidinecarboxylic acid IUPAC Name: (2S,3R)-2-(2-chlorophenyl)-1-cyclohexyl-6-oxopiperidine-3-carboxylic acid Traditional Name: (2S,3R)-2-(2-chlorophenyl)-1-cyclohexyl-6-keto-nipecotic acid Formula: C18H22ClNO3 MolecularWeight: 335.82518

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(C(CCC2=O)C(=O)O)C3=CC=CC=C3Cl

Isomeric SMILES

C1CCC(CC1)N2[C@@H]([C@@H](CCC2=O)C(=O)O)C3=CC=CC=C3Cl

InChI

InChI=1S/C18H22ClNO3/c19-15-9-5-4-8-13(15)17-14(18(22)23)10-11-16(21)20(17)12-6-2-1-3-7-12/h4-5,8-9,12,14,17H,1-3,6-7,10-11H2,(H,22,23)/t14-,17-/m1/s1