1-[(2,4-dimethylphenyl)-(5-methylpyridin-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2,4-dimethylphenyl)-(5-methylpyridin-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,4-dimethylphenyl)-(5-methyl-2-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,4-dimethylphenyl)-(5-methyl-2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dimethylphenyl)-(5-methylpyridin-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,4-dimethylphenyl)-(5-methyl-2-pyridyl)methyl]nipecotic acid Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2/c1-14-6-8-18(16(3)11-14)20(19-9-7-15(2)12-22-19)23-10-4-5-17(13-23)21(24)25/h6-9,11-12,17,20H,4-5,10,13H2,1-3H3,(H,24,25)