[3-fluoranyl-4-(5-octylpyrimidin-2-yl)phenyl] 4-butylbenzoate

Systemtic Name: [3-fluoranyl-4-(5-octylpyrimidin-2-yl)phenyl] 4-butylbenzoate Openeye Name: [3-fluoro-4-(5-octylpyrimidin-2-yl)phenyl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [3-fluoro-4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [3-fluoro-4-(5-octylpyrimidin-2-yl)phenyl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [3-fluoro-4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C29H35FN2O2 MolecularWeight: 462.598803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCC)F

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCC)F

InChI

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