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

Systemtic Name: 1-[(3-methylphenyl)-pyridin-4-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[m-tolyl(4-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-methylphenyl)-pyridin-4-ylmethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylphenyl)-pyridin-4-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[m-tolyl(4-pyridyl)methyl]nipecotic acid Formula: C19H22N2O2 MolecularWeight: 310.39018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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