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

Systemtic Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 4-(trifluoromethyl)benzoate Openeye Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid [4-(5-pentyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid [4-(5-amylpyrimidin-2-yl)phenyl] ester Formula: C23H21F3N2O2 MolecularWeight: 414.42025

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C23H21F3N2O2/c1-2-3-4-5-16-14-27-21(28-15-16)17-8-12-20(13-9-17)30-22(29)18-6-10-19(11-7-18)23(24,25)26/h6-15H,2-5H2,1H3