(4-hexylphenyl) 3-fluoranyl-4-(5-hexylpyrimidin-2-yl)benzoate

Systemtic Name: (4-hexylphenyl) 3-fluoranyl-4-(5-hexylpyrimidin-2-yl)benzoate Openeye Name: (4-hexylphenyl) 3-fluoro-4-(5-hexylpyrimidin-2-yl)benzoate CAS Name: 3-fluoro-4-(5-hexyl-2-pyrimidinyl)benzoic acid (4-hexylphenyl) ester IUPAC Name: (4-hexylphenyl) 3-fluoro-4-(5-hexylpyrimidin-2-yl)benzoate Traditional Name: 3-fluoro-4-(5-hexylpyrimidin-2-yl)benzoic acid (4-hexylphenyl) ester Formula: C29H35FN2O2 MolecularWeight: 462.598803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3=NC=C(C=N3)CCCCCC)F

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3=NC=C(C=N3)CCCCCC)F

InChI

InChI=1S/C29H35FN2O2/c1-3-5-7-9-11-22-13-16-25(17-14-22)34-29(33)24-15-18-26(27(30)19-24)28-31-20-23(21-32-28)12-10-8-6-4-2/h13-21H,3-12H2,1-2H3