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

Systemtic Name: 1-[1-(2-phenylmethoxyphenyl)-2-pyridin-2-yl-ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-(2-benzyloxyphenyl)-2-(2-pyridyl)ethyl]piperidine-3-carboxylic acid CAS Name: 1-[1-(2-phenylmethoxyphenyl)-2-(2-pyridinyl)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(2-phenylmethoxyphenyl)-2-pyridin-2-ylethyl]piperidine-3-carboxylic acid Traditional Name: 1-[1-(2-benzoxyphenyl)-2-(2-pyridyl)ethyl]nipecotic acid Formula: C26H28N2O3 MolecularWeight: 416.51212

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(CC2=CC=CC=N2)C3=CC=CC=C3OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(CC2=CC=CC=N2)C3=CC=CC=C3OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H28N2O3/c29-26(30)21-11-8-16-28(18-21)24(17-22-12-6-7-15-27-22)23-13-4-5-14-25(23)31-19-20-9-2-1-3-10-20/h1-7,9-10,12-15,21,24H,8,11,16-19H2,(H,29,30)