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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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