1-[(3-methylphenyl)-pyridin-2-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-methylphenyl)-pyridin-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[m-tolyl(2-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-methylphenyl)-(2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylphenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[m-tolyl(2-pyridyl)methyl]nipecotic acid Formula: C19H22N2O2 MolecularWeight: 310.39018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=CC=CC=N2)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=CC=CC=N2)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C19H22N2O2/c1-14-6-4-7-15(12-14)18(17-9-2-3-10-20-17)21-11-5-8-16(13-21)19(22)23/h2-4,6-7,9-10,12,16,18H,5,8,11,13H2,1H3,(H,22,23)