(4-heptylcyclohexyl) 2-fluoranyl-4-(5-heptylpyrimidin-2-yl)benzoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=N3)CCCCCCC)F

Isomeric SMILES

CCCCCCCC1CCC(CC1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=N3)CCCCCCC)F

InChI

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