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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=CC=N4

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=CC=N4

InChI

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