1-[(4-phenylmethoxyphenyl)-pyridin-2-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-phenylmethoxyphenyl)-pyridin-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxyphenyl)-(2-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-phenylmethoxyphenyl)-(2-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-phenylmethoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxyphenyl)-(2-pyridyl)methyl]isonipecotic acid Formula: C25H26N2O3 MolecularWeight: 402.48554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=CC=N4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=CC=N4

InChI

InChI=1S/C25H26N2O3/c28-25(29)21-13-16-27(17-14-21)24(23-8-4-5-15-26-23)20-9-11-22(12-10-20)30-18-19-6-2-1-3-7-19/h1-12,15,21,24H,13-14,16-18H2,(H,28,29)