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

Systemtic Name: 1-[(3,5-dimethylphenyl)-pyridin-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(2-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(2-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3,5-dimethylphenyl)-(2-pyridyl)methyl]isonipecotic acid Formula: C20H24N2O2 MolecularWeight: 324.41676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O2/c1-14-11-15(2)13-17(12-14)19(18-5-3-4-8-21-18)22-9-6-16(7-10-22)20(23)24/h3-5,8,11-13,16,19H,6-7,9-10H2,1-2H3,(H,23,24)