2-[4-[4,4-bis(fluoranyl)piperidin-1-yl]-3-cyano-phenyl]-5-oxidanyl-pyridine-4-carboxylic acid

Systemtic Name: 2-[4-[4,4-bis(fluoranyl)piperidin-1-yl]-3-cyano-phenyl]-5-oxidanyl-pyridine-4-carboxylic acid Openeye Name: 2-[3-cyano-4-(4,4-difluoro-1-piperidyl)phenyl]-5-hydroxy-pyridine-4-carboxylic acid CAS Name: 2-[3-cyano-4-(4,4-difluoro-1-piperidinyl)phenyl]-5-hydroxy-4-pyridinecarboxylic acid IUPAC Name: 2-[3-cyano-4-(4,4-difluoropiperidin-1-yl)phenyl]-5-hydroxypyridine-4-carboxylic acid Traditional Name: 2-[3-cyano-4-(4,4-difluoropiperidino)phenyl]-5-hydroxy-isonicotinic acid Formula: C18H15F2N3O3 MolecularWeight: 359.326806

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(F)F)C2=C(C=C(C=C2)C3=NC=C(C(=C3)C(=O)O)O)C#N

Isomeric SMILES

C1CN(CCC1(F)F)C2=C(C=C(C=C2)C3=NC=C(C(=C3)C(=O)O)O)C#N

InChI

InChI=1S/C18H15F2N3O3/c19-18(20)3-5-23(6-4-18)15-2-1-11(7-12(15)9-21)14-8-13(17(25)26)16(24)10-22-14/h1-2,7-8,10,24H,3-6H2,(H,25,26)