(4-pyrimidin-2-ylphenyl) 3-(trifluoromethyl)undecanoate

Systemtic Name: (4-pyrimidin-2-ylphenyl) 3-(trifluoromethyl)undecanoate Openeye Name: (4-pyrimidin-2-ylphenyl) 3-(trifluoromethyl)undecanoate CAS Name: 3-(trifluoromethyl)undecanoic acid [4-(2-pyrimidinyl)phenyl] ester IUPAC Name: (4-pyrimidin-2-ylphenyl) 3-(trifluoromethyl)undecanoate Traditional Name: 3-(trifluoromethyl)undecanoic acid [4-(2-pyrimidyl)phenyl] ester Formula: C22H27F3N2O2 MolecularWeight: 408.45719

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CC(=O)OC1=CC=C(C=C1)C2=NC=CC=N2)C(F)(F)F

Isomeric SMILES

CCCCCCCCC(CC(=O)OC1=CC=C(C=C1)C2=NC=CC=N2)C(F)(F)F

InChI

InChI=1S/C22H27F3N2O2/c1-2-3-4-5-6-7-9-18(22(23,24)25)16-20(28)29-19-12-10-17(11-13-19)21-26-14-8-15-27-21/h8,10-15,18H,2-7,9,16H2,1H3