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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=CC=N2)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=CC=N2)N3CCCC(C3)C(=O)O

InChI

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