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

Systemtic Name: (2S,3R)-2-(2-chlorophenyl)-6-oxidanylidene-1-propyl-piperidine-3-carboxylic acid Openeye Name: (2S,3R)-2-(2-chlorophenyl)-6-oxo-1-propyl-piperidine-3-carboxylic acid CAS Name: (2S,3R)-2-(2-chlorophenyl)-6-oxo-1-propyl-3-piperidinecarboxylic acid IUPAC Name: (2S,3R)-2-(2-chlorophenyl)-6-oxo-1-propylpiperidine-3-carboxylic acid Traditional Name: (2S,3R)-2-(2-chlorophenyl)-6-keto-1-propyl-nipecotic acid Formula: C15H18ClNO3 MolecularWeight: 295.76132

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C(CCC1=O)C(=O)O)C2=CC=CC=C2Cl

Isomeric SMILES

CCCN1[C@@H]([C@@H](CCC1=O)C(=O)O)C2=CC=CC=C2Cl

InChI

InChI=1S/C15H18ClNO3/c1-2-9-17-13(18)8-7-11(15(19)20)14(17)10-5-3-4-6-12(10)16/h3-6,11,14H,2,7-9H2,1H3,(H,19,20)/t11-,14-/m1/s1