1-[pyridin-3-yl-(2,4,6-trimethylphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[pyridin-3-yl-(2,4,6-trimethylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[3-pyridyl-(2,4,6-trimethylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[3-pyridinyl-(2,4,6-trimethylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[pyridin-3-yl-(2,4,6-trimethylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[mesityl(3-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=CN=CC=C2)N3CCC(CC3)C(=O)O)C

Isomeric SMILES

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

InChI

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