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

Systemtic Name: 1-[(2-phenylmethoxyphenyl)-pyridin-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-benzyloxyphenyl)-(2-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-phenylmethoxyphenyl)-(2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-phenylmethoxyphenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-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=C2OCC3=CC=CC=C3)C4=CC=CC=N4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)C4=CC=CC=N4)C(=O)O

InChI

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