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

Systemtic Name: 1-[(3,5-dimethylphenyl)-(3-methylpyridin-4-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(3-methyl-4-pyridyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(3-methyl-4-pyridinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-(3-methylpyridin-4-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3,5-dimethylphenyl)-(3-methyl-4-pyridyl)methyl]pipecolinic 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)N3CCCCC3C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=C(C=NC=C2)C)N3CCCCC3C(=O)O)C

InChI

InChI=1S/C21H26N2O2/c1-14-10-15(2)12-17(11-14)20(18-7-8-22-13-16(18)3)23-9-5-4-6-19(23)21(24)25/h7-8,10-13,19-20H,4-6,9H2,1-3H3,(H,24,25)