[4-(5-octylpyrimidin-2-yl)phenyl] 4-(trifluoromethyl)benzoate

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 4-(trifluoromethyl)benzoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C26H27F3N2O2 MolecularWeight: 456.49999

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27F3N2O2/c1-2-3-4-5-6-7-8-19-17-30-24(31-18-19)20-11-15-23(16-12-20)33-25(32)21-9-13-22(14-10-21)26(27,28)29/h9-18H,2-8H2,1H3