1-[(3-methylphenyl)-(3-methylpyridin-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-methylphenyl)-(3-methylpyridin-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-methyl-2-pyridyl)-(m-tolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-methylphenyl)-(3-methyl-2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylphenyl)-(3-methylpyridin-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-methyl-2-pyridyl)-(m-tolyl)methyl]nipecotic acid Formula: C20H24N2O2 MolecularWeight: 324.41676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=C(C=CC=N2)C)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=C(C=CC=N2)C)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C20H24N2O2/c1-14-6-3-8-16(12-14)19(18-15(2)7-4-10-21-18)22-11-5-9-17(13-22)20(23)24/h3-4,6-8,10,12,17,19H,5,9,11,13H2,1-2H3,(H,23,24)