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

Systemtic Name: 1-[[2,4-bis(fluoranyl)phenyl]-pyridin-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,4-difluorophenyl)-(3-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,4-difluorophenyl)-(3-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-difluorophenyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,4-difluorophenyl)-(3-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=CN=CC=C2)C3=C(C=C(C=C3)F)F

Isomeric SMILES

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

InChI

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