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

Systemtic Name: 1-[(3-methylphenyl)-pyridin-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[m-tolyl(3-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-methylphenyl)-(3-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[m-tolyl(3-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=CN=CC=C2)N3CCCC(C3)C(=O)O

Isomeric SMILES

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

InChI

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