(2S)-1-(3-methylphenyl)carbonylpiperidine-2-carboxylic acid

Systemtic Name: (2S)-1-(3-methylphenyl)carbonylpiperidine-2-carboxylic acid Openeye Name: (2S)-1-(3-methylbenzoyl)piperidine-2-carboxylic acid CAS Name: (2S)-1-[(3-methylphenyl)-oxomethyl]-2-piperidinecarboxylic acid IUPAC Name: (2S)-1-(3-methylbenzoyl)piperidine-2-carboxylic acid Traditional Name: (2S)-1-m-toluoylpipecolinic acid Formula: C14H17NO3 MolecularWeight: 247.28968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCCCC2C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCCC[C@H]2C(=O)O

InChI

InChI=1S/C14H17NO3/c1-10-5-4-6-11(9-10)13(16)15-8-3-2-7-12(15)14(17)18/h4-6,9,12H,2-3,7-8H2,1H3,(H,17,18)/t12-/m0/s1