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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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