(2S,3R)-1-methyl-6-oxidanylidene-2-phenyl-piperidine-3-carboxylic acid

Systemtic Name: (2S,3R)-1-methyl-6-oxidanylidene-2-phenyl-piperidine-3-carboxylic acid Openeye Name: (2S,3R)-1-methyl-6-oxo-2-phenyl-piperidine-3-carboxylic acid CAS Name: (2S,3R)-1-methyl-6-oxo-2-phenyl-3-piperidinecarboxylic acid IUPAC Name: (2S,3R)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxylic acid Traditional Name: (2S,3R)-6-keto-1-methyl-2-phenyl-nipecotic acid Formula: C13H15NO3 MolecularWeight: 233.2631

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(CCC1=O)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CN1[C@@H]([C@@H](CCC1=O)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C13H15NO3/c1-14-11(15)8-7-10(13(16)17)12(14)9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3,(H,16,17)/t10-,12-/m1/s1