1-[1-[2,4-bis(fluoranyl)phenyl]-2-pyridin-2-yl-ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-[2,4-bis(fluoranyl)phenyl]-2-pyridin-2-yl-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[1-(2,4-difluorophenyl)-2-(2-pyridyl)ethyl]piperidine-4-carboxylic acid CAS Name: 1-[1-(2,4-difluorophenyl)-2-(2-pyridinyl)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(2,4-difluorophenyl)-2-pyridin-2-ylethyl]piperidine-4-carboxylic acid Traditional Name: 1-[1-(2,4-difluorophenyl)-2-(2-pyridyl)ethyl]isonipecotic acid Formula: C19H20F2N2O2 MolecularWeight: 346.371106

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(CC2=CC=CC=N2)C3=C(C=C(C=C3)F)F

Isomeric SMILES

C1CN(CCC1C(=O)O)C(CC2=CC=CC=N2)C3=C(C=C(C=C3)F)F

InChI

InChI=1S/C19H20F2N2O2/c20-14-4-5-16(17(21)11-14)18(12-15-3-1-2-8-22-15)23-9-6-13(7-10-23)19(24)25/h1-5,8,11,13,18H,6-7,9-10,12H2,(H,24,25)