1-[(3-methylpyridin-4-yl)-phenyl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-methylpyridin-4-yl)-phenyl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-methyl-4-pyridyl)-phenyl-methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-methyl-4-pyridinyl)-phenylmethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylpyridin-4-yl)-phenylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-methyl-4-pyridyl)-phenyl-methyl]nipecotic acid Formula: C19H22N2O2 MolecularWeight: 310.39018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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