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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CN=CC=C2)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CN=CC=C2)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C19H22N2O2/c1-14-6-2-3-9-17(14)18(15-7-4-10-20-12-15)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)