1-[pyridin-2-yl-(2,4,6-trimethylphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[pyridin-2-yl-(2,4,6-trimethylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-pyridyl-(2,4,6-trimethylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[2-pyridinyl-(2,4,6-trimethylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[pyridin-2-yl-(2,4,6-trimethylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[mesityl(2-pyridyl)methyl]isonipecotic acid Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(C2=CC=CC=N2)N3CCC(CC3)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(C2=CC=CC=N2)N3CCC(CC3)C(=O)O)C

InChI

InChI=1S/C21H26N2O2/c1-14-12-15(2)19(16(3)13-14)20(18-6-4-5-9-22-18)23-10-7-17(8-11-23)21(24)25/h4-6,9,12-13,17,20H,7-8,10-11H2,1-3H3,(H,24,25)