(4-octylcyclohexyl) 2-fluoranyl-4-(5-hexylpyrimidin-2-yl)benzoate

Systemtic Name: (4-octylcyclohexyl) 2-fluoranyl-4-(5-hexylpyrimidin-2-yl)benzoate Openeye Name: (4-octylcyclohexyl) 2-fluoro-4-(5-hexylpyrimidin-2-yl)benzoate CAS Name: 2-fluoro-4-(5-hexyl-2-pyrimidinyl)benzoic acid (4-octylcyclohexyl) ester IUPAC Name: (4-octylcyclohexyl) 2-fluoro-4-(5-hexylpyrimidin-2-yl)benzoate Traditional Name: 2-fluoro-4-(5-hexylpyrimidin-2-yl)benzoic acid (4-octylcyclohexyl) ester Formula: C31H45FN2O2 MolecularWeight: 496.699603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=N3)CCCCCC)F

Isomeric SMILES

CCCCCCCCC1CCC(CC1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=N3)CCCCCC)F

InChI

InChI=1S/C31H45FN2O2/c1-3-5-7-9-10-12-13-24-15-18-27(19-16-24)36-31(35)28-20-17-26(21-29(28)32)30-33-22-25(23-34-30)14-11-8-6-4-2/h17,20-24,27H,3-16,18-19H2,1-2H3