2-fluoranyl-1-[4-[4-(5-octylpyridin-2-yl)phenyl]-1-oxidanyl-cyclohexyl]hexan-1-one

Systemtic Name: 2-fluoranyl-1-[4-[4-(5-octylpyridin-2-yl)phenyl]-1-oxidanyl-cyclohexyl]hexan-1-one Openeye Name: 2-fluoro-1-[1-hydroxy-4-[4-(5-octyl-2-pyridyl)phenyl]cyclohexyl]hexan-1-one CAS Name: 2-fluoro-1-[1-hydroxy-4-[4-(5-octyl-2-pyridinyl)phenyl]cyclohexyl]-1-hexanone IUPAC Name: 2-fluoro-1-[1-hydroxy-4-[4-(5-octylpyridin-2-yl)phenyl]cyclohexyl]hexan-1-one Traditional Name: 2-fluoro-1-[1-hydroxy-4-[4-(5-octyl-2-pyridyl)phenyl]cyclohexyl]hexan-1-one Formula: C31H44FNO2 MolecularWeight: 481.684963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(C(=O)C(CCCC)F)O

Isomeric SMILES

CCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(C(=O)C(CCCC)F)O

InChI

InChI=1S/C31H44FNO2/c1-3-5-7-8-9-10-11-24-13-18-29(33-23-24)27-16-14-25(15-17-27)26-19-21-31(35,22-20-26)30(34)28(32)12-6-4-2/h13-18,23,26,28,35H,3-12,19-22H2,1-2H3