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

Systemtic Name: 1-[1-(3-phenylmethoxyphenyl)-2-pyridin-2-yl-ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-(3-benzyloxyphenyl)-2-(2-pyridyl)ethyl]piperidine-3-carboxylic acid CAS Name: 1-[1-(3-phenylmethoxyphenyl)-2-(2-pyridinyl)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(3-phenylmethoxyphenyl)-2-pyridin-2-ylethyl]piperidine-3-carboxylic acid Traditional Name: 1-[1-(3-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=C3)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(CC2=CC=CC=N2)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)O

InChI

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