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

Systemtic Name: 1-[[2,4-bis(fluoranyl)phenyl]-pyridin-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,4-difluorophenyl)-(2-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,4-difluorophenyl)-(2-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-difluorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,4-difluorophenyl)-(2-pyridyl)methyl]isonipecotic acid Formula: C18H18F2N2O2 MolecularWeight: 332.344526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=C(C=C(C=C2)F)F)C3=CC=CC=N3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=C(C=C(C=C2)F)F)C3=CC=CC=N3

InChI

InChI=1S/C18H18F2N2O2/c19-13-4-5-14(15(20)11-13)17(16-3-1-2-8-21-16)22-9-6-12(7-10-22)18(23)24/h1-5,8,11-12,17H,6-7,9-10H2,(H,23,24)