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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2/c1-14-9-15(2)11-18(10-14)20(19-6-7-22-12-16(19)3)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)