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

Systemtic Name: 1-(2-fluoranylhexanoyl)-4-[4-(5-pent-4-enylpyridin-2-yl)phenyl]cyclohexan-1-olate Openeye Name: 1-(2-fluorohexanoyl)-4-[4-(5-pent-4-enyl-2-pyridyl)phenyl]cyclohexanolate CAS Name: 1-(2-fluoro-1-oxohexyl)-4-[4-(5-pent-4-enyl-2-pyridinyl)phenyl]-1-cyclohexanolate IUPAC Name: 1-(2-fluorohexanoyl)-4-[4-(5-pent-4-enylpyridin-2-yl)phenyl]cyclohexan-1-olate Traditional Name: 1-(2-fluorohexanoyl)-4-[4-(5-pent-4-enyl-2-pyridyl)phenyl]cyclohexanolate Formula: C28H35FNO2- MolecularWeight: 436.581403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)C1(CCC(CC1)C2=CC=C(C=C2)C3=NC=C(C=C3)CCCC=C)[O-])F

Isomeric SMILES

CCCCC(C(=O)C1(CCC(CC1)C2=CC=C(C=C2)C3=NC=C(C=C3)CCCC=C)[O-])F

InChI

InChI=1S/C28H35FNO2/c1-3-5-7-8-21-10-15-26(30-20-21)24-13-11-22(12-14-24)23-16-18-28(32,19-17-23)27(31)25(29)9-6-4-2/h3,10-15,20,23,25H,1,4-9,16-19H2,2H3/q-1