1-[pyridin-4-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[pyridin-4-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[4-pyridyl(tetralin-6-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[pyridin-4-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[pyridin-4-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-pyridyl(tetralin-6-yl)methyl]isonipecotic acid Formula: C22H26N2O2 MolecularWeight: 350.45404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)C(C3=CC=NC=C3)N4CCC(CC4)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)C(C3=CC=NC=C3)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C22H26N2O2/c25-22(26)18-9-13-24(14-10-18)21(17-7-11-23-12-8-17)20-6-5-16-3-1-2-4-19(16)15-20/h5-8,11-12,15,18,21H,1-4,9-10,13-14H2,(H,25,26)