1-(2-fluoranylhexanoyl)-4-[4-(5-heptylpyridin-2-yl)phenyl]cyclohexan-1-olate

Systemtic Name: 1-(2-fluoranylhexanoyl)-4-[4-(5-heptylpyridin-2-yl)phenyl]cyclohexan-1-olate Openeye Name: 1-(2-fluorohexanoyl)-4-[4-(5-heptyl-2-pyridyl)phenyl]cyclohexanolate CAS Name: 1-(2-fluoro-1-oxohexyl)-4-[4-(5-heptyl-2-pyridinyl)phenyl]-1-cyclohexanolate IUPAC Name: 1-(2-fluorohexanoyl)-4-[4-(5-heptylpyridin-2-yl)phenyl]cyclohexan-1-olate Traditional Name: 1-(2-fluorohexanoyl)-4-[4-(5-heptyl-2-pyridyl)phenyl]cyclohexanolate Formula: C30H41FNO2- MolecularWeight: 466.650443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(C(=O)C(CCCC)F)[O-]

Isomeric SMILES

CCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(C(=O)C(CCCC)F)[O-]

InChI

InChI=1S/C30H41FNO2/c1-3-5-7-8-9-10-23-12-17-28(32-22-23)26-15-13-24(14-16-26)25-18-20-30(34,21-19-25)29(33)27(31)11-6-4-2/h12-17,22,25,27H,3-11,18-21H2,1-2H3/q-1