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

Systemtic Name: 1-[(3-methylphenyl)-pyridin-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[m-tolyl(3-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-methylphenyl)-(3-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylphenyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[m-tolyl(3-pyridyl)methyl]isonipecotic 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)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=CN=CC=C2)N3CCC(CC3)C(=O)O

InChI

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