1-[1-(2,4-dimethylphenyl)-2-pyridin-2-yl-ethyl]piperidine-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(CC2=CC=CC=N2)N3CCCC(C3)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(CC2=CC=CC=N2)N3CCCC(C3)C(=O)O)C

InChI

InChI=1S/C21H26N2O2/c1-15-8-9-19(16(2)12-15)20(13-18-7-3-4-10-22-18)23-11-5-6-17(14-23)21(24)25/h3-4,7-10,12,17,20H,5-6,11,13-14H2,1-2H3,(H,24,25)