1-[(3-phenylmethoxyphenyl)-pyridin-2-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-phenylmethoxyphenyl)-pyridin-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-(2-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-phenylmethoxyphenyl)-(2-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-phenylmethoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-benzoxyphenyl)-(2-pyridyl)methyl]isonipecotic acid Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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