[1,1,1-tris(fluoranyl)-3-propoxy-propan-2-yl] 2-(4-hexylphenyl)pyrimidine-5-carboxylate

Systemtic Name: [1,1,1-tris(fluoranyl)-3-propoxy-propan-2-yl] 2-(4-hexylphenyl)pyrimidine-5-carboxylate Openeye Name: [2,2,2-trifluoro-1-(propoxymethyl)ethyl] 2-(4-hexylphenyl)pyrimidine-5-carboxylate CAS Name: 2-(4-hexylphenyl)-5-pyrimidinecarboxylic acid (1,1,1-trifluoro-3-propoxypropan-2-yl) ester IUPAC Name: (1,1,1-trifluoro-3-propoxypropan-2-yl) 2-(4-hexylphenyl)pyrimidine-5-carboxylate Traditional Name: 2-(4-hexylphenyl)pyrimidine-5-carboxylic acid [2,2,2-trifluoro-1-(propoxymethyl)ethyl] ester Formula: C23H29F3N2O3 MolecularWeight: 438.48317

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)OC(COCCC)C(F)(F)F

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)OC(COCCC)C(F)(F)F

InChI

InChI=1S/C23H29F3N2O3/c1-3-5-6-7-8-17-9-11-18(12-10-17)21-27-14-19(15-28-21)22(29)31-20(23(24,25)26)16-30-13-4-2/h9-12,14-15,20H,3-8,13,16H2,1-2H3