1-[1-(3-phenylmethoxyphenyl)-2-pyridin-2-yl-ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-(3-phenylmethoxyphenyl)-2-pyridin-2-yl-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[1-(3-benzyloxyphenyl)-2-(2-pyridyl)ethyl]piperidine-4-carboxylic acid CAS Name: 1-[1-(3-phenylmethoxyphenyl)-2-(2-pyridinyl)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(3-phenylmethoxyphenyl)-2-pyridin-2-ylethyl]piperidine-4-carboxylic acid Traditional Name: 1-[1-(3-benzoxyphenyl)-2-(2-pyridyl)ethyl]isonipecotic acid Formula: C26H28N2O3 MolecularWeight: 416.51212

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(CC2=CC=CC=N2)C3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(CC2=CC=CC=N2)C3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

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