1-[(2-methylphenyl)-pyridin-4-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2-methylphenyl)-pyridin-4-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[o-tolyl(4-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-methylphenyl)-pyridin-4-ylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-methylphenyl)-pyridin-4-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[o-tolyl(4-pyridyl)methyl]isonipecotic acid Formula: C19H22N2O2 MolecularWeight: 310.39018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=NC=C2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=NC=C2)N3CCC(CC3)C(=O)O

InChI

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