(3S)-1-[2-(2-methylphenyl)ethanoyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[2-(2-methylphenyl)ethanoyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[2-(o-tolyl)acetyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[2-(2-methylphenyl)-1-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[2-(2-methylphenyl)acetyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[2-(o-tolyl)acetyl]nipecotic acid Formula: C15H19NO3 MolecularWeight: 261.31626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CC(=O)N2CCC[C@@H](C2)C(=O)O

InChI

InChI=1S/C15H19NO3/c1-11-5-2-3-6-12(11)9-14(17)16-8-4-7-13(10-16)15(18)19/h2-3,5-6,13H,4,7-10H2,1H3,(H,18,19)/t13-/m0/s1