1-[[2,4-bis(fluoranyl)phenyl]-pyridin-2-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[[2,4-bis(fluoranyl)phenyl]-pyridin-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,4-difluorophenyl)-(2-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,4-difluorophenyl)-(2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-difluorophenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,4-difluorophenyl)-(2-pyridyl)methyl]nipecotic acid Formula: C18H18F2N2O2 MolecularWeight: 332.344526

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=C(C=C(C=C2)F)F)C3=CC=CC=N3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=C(C=C(C=C2)F)F)C3=CC=CC=N3)C(=O)O

InChI

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