1-[(2-methylphenyl)-(3-methylpyridin-4-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2-methylphenyl)-(3-methylpyridin-4-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-methyl-4-pyridyl)-(o-tolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-methylphenyl)-(3-methyl-4-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-methylphenyl)-(3-methylpyridin-4-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-methyl-4-pyridyl)-(o-tolyl)methyl]nipecotic acid Formula: C20H24N2O2 MolecularWeight: 324.41676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=C(C=NC=C2)C)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=C(C=NC=C2)C)N3CCCC(C3)C(=O)O

InChI

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