(4-pentylphenyl) 3-fluoranyl-4-(5-heptylpyrimidin-2-yl)benzoate

Systemtic Name: (4-pentylphenyl) 3-fluoranyl-4-(5-heptylpyrimidin-2-yl)benzoate Openeye Name: (4-pentylphenyl) 3-fluoro-4-(5-heptylpyrimidin-2-yl)benzoate CAS Name: 3-fluoro-4-(5-heptyl-2-pyrimidinyl)benzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 3-fluoro-4-(5-heptylpyrimidin-2-yl)benzoate Traditional Name: 3-fluoro-4-(5-heptylpyrimidin-2-yl)benzoic acid (4-amylphenyl) ester Formula: C29H35FN2O2 MolecularWeight: 462.598803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC)F

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC)F

InChI

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