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

Systemtic Name: (3S)-1-[ethyl-(3-methylphenyl)carbamoyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[ethyl(m-tolyl)carbamoyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[(N-ethyl-3-methylanilino)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[ethyl-(3-methylphenyl)carbamoyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[ethyl(m-tolyl)carbamoyl]nipecotic acid Formula: C16H22N2O3 MolecularWeight: 290.35748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3/c1-3-18(14-8-4-6-12(2)10-14)16(21)17-9-5-7-13(11-17)15(19)20/h4,6,8,10,13H,3,5,7,9,11H2,1-2H3,(H,19,20)/t13-/m0/s1