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

Systemtic Name: [1,1,1-tris(fluoranyl)-3-propoxy-propan-2-yl] 2-(4-heptoxyphenyl)pyrimidine-5-carboxylate Openeye Name: [2,2,2-trifluoro-1-(propoxymethyl)ethyl] 2-(4-heptoxyphenyl)pyrimidine-5-carboxylate CAS Name: 2-(4-heptoxyphenyl)-5-pyrimidinecarboxylic acid (1,1,1-trifluoro-3-propoxypropan-2-yl) ester IUPAC Name: (1,1,1-trifluoro-3-propoxypropan-2-yl) 2-(4-heptoxyphenyl)pyrimidine-5-carboxylate Traditional Name: 2-(4-heptoxyphenyl)pyrimidine-5-carboxylic acid [2,2,2-trifluoro-1-(propoxymethyl)ethyl] ester Formula: C24H31F3N2O4 MolecularWeight: 468.50915

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)OC(COCCC)C(F)(F)F

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)OC(COCCC)C(F)(F)F

InChI

InChI=1S/C24H31F3N2O4/c1-3-5-6-7-8-14-32-20-11-9-18(10-12-20)22-28-15-19(16-29-22)23(30)33-21(24(25,26)27)17-31-13-4-2/h9-12,15-16,21H,3-8,13-14,17H2,1-2H3