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

Systemtic Name: [3-butoxy-1,1,1-tris(fluoranyl)propan-2-yl] 2-(4-decoxyphenyl)pyrimidine-5-carboxylate Openeye Name: [1-(butoxymethyl)-2,2,2-trifluoro-ethyl] 2-(4-decoxyphenyl)pyrimidine-5-carboxylate CAS Name: 2-(4-decoxyphenyl)-5-pyrimidinecarboxylic acid (3-butoxy-1,1,1-trifluoropropan-2-yl) ester IUPAC Name: (3-butoxy-1,1,1-trifluoropropan-2-yl) 2-(4-decoxyphenyl)pyrimidine-5-carboxylate Traditional Name: 2-(4-decoxyphenyl)pyrimidine-5-carboxylic acid [1-(butoxymethyl)-2,2,2-trifluoro-ethyl] ester Formula: C28H39F3N2O4 MolecularWeight: 524.61547

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)OC(COCCCC)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)OC(COCCCC)C(F)(F)F

InChI

InChI=1S/C28H39F3N2O4/c1-3-5-7-8-9-10-11-12-18-36-24-15-13-22(14-16-24)26-32-19-23(20-33-26)27(34)37-25(28(29,30)31)21-35-17-6-4-2/h13-16,19-20,25H,3-12,17-18,21H2,1-2H3