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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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