1-[1-(2,5-dimethylphenyl)-2-pyridin-2-yl-ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-(2,5-dimethylphenyl)-2-pyridin-2-yl-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[1-(2,5-dimethylphenyl)-2-(2-pyridyl)ethyl]piperidine-4-carboxylic acid CAS Name: 1-[1-(2,5-dimethylphenyl)-2-(2-pyridinyl)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(2,5-dimethylphenyl)-2-pyridin-2-ylethyl]piperidine-4-carboxylic acid Traditional Name: 1-[1-(2,5-dimethylphenyl)-2-(2-pyridyl)ethyl]isonipecotic acid Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(CC2=CC=CC=N2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(CC2=CC=CC=N2)N3CCC(CC3)C(=O)O

InChI

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