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

Systemtic Name: (3S)-1-[(3-methylphenyl)methylcarbamoyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-(m-tolylmethylcarbamoyl)piperidine-3-carboxylic acid CAS Name: (3S)-1-[[(3-methylphenyl)methylamino]-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[(3-methylphenyl)methylcarbamoyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[(3-methylbenzyl)carbamoyl]nipecotic acid Formula: C15H20N2O3 MolecularWeight: 276.3309

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)CNC(=O)N2CCC[C@@H](C2)C(=O)O

InChI

InChI=1S/C15H20N2O3/c1-11-4-2-5-12(8-11)9-16-15(20)17-7-3-6-13(10-17)14(18)19/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H,16,20)(H,18,19)/t13-/m0/s1