(2S,3R)-1-(2-methoxyethyl)-2-(4-methylphenyl)-6-oxidanylidene-piperidine-3-carboxylic acid

Systemtic Name: (2S,3R)-1-(2-methoxyethyl)-2-(4-methylphenyl)-6-oxidanylidene-piperidine-3-carboxylic acid Openeye Name: (2S,3R)-1-(2-methoxyethyl)-6-oxo-2-(p-tolyl)piperidine-3-carboxylic acid CAS Name: (2S,3R)-1-(2-methoxyethyl)-2-(4-methylphenyl)-6-oxo-3-piperidinecarboxylic acid IUPAC Name: (2S,3R)-1-(2-methoxyethyl)-2-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid Traditional Name: (2S,3R)-6-keto-1-(2-methoxyethyl)-2-(p-tolyl)nipecotic acid Formula: C16H21NO4 MolecularWeight: 291.34224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(CCC(=O)N2CCOC)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2[C@@H](CCC(=O)N2CCOC)C(=O)O

InChI

InChI=1S/C16H21NO4/c1-11-3-5-12(6-4-11)15-13(16(19)20)7-8-14(18)17(15)9-10-21-2/h3-6,13,15H,7-10H2,1-2H3,(H,19,20)/t13-,15-/m1/s1