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

Systemtic Name: 1-[[2,4-bis(fluoranyl)phenyl]-pyridin-4-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,4-difluorophenyl)-(4-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,4-difluorophenyl)-pyridin-4-ylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-difluorophenyl)-pyridin-4-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,4-difluorophenyl)-(4-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=CC=NC=C2)C3=C(C=C(C=C3)F)F

Isomeric SMILES

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

InChI

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