1-[(2-methylphenyl)-pyridin-4-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2-methylphenyl)-pyridin-4-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[o-tolyl(4-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-methylphenyl)-pyridin-4-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[o-tolyl(4-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=NC=C2)N3CCCC(C3)C(=O)O

Isomeric SMILES

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

InChI

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