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

Systemtic Name: 1-[1-(3-phenoxyphenyl)-2-pyridin-2-yl-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[1-(3-phenoxyphenyl)-2-(2-pyridyl)ethyl]piperidine-4-carboxylic acid CAS Name: 1-[1-(3-phenoxyphenyl)-2-(2-pyridinyl)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(3-phenoxyphenyl)-2-pyridin-2-ylethyl]piperidine-4-carboxylic acid Traditional Name: 1-[1-(3-phenoxyphenyl)-2-(2-pyridyl)ethyl]isonipecotic acid Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(CC2=CC=CC=N2)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(CC2=CC=CC=N2)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

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