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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CC=CC=N4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CC=CC=N4)C(=O)O

InChI

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