[3-butoxy-1,1,1-tris(fluoranyl)propan-2-yl] 4-(5-octoxypyrimidin-2-yl)benzoate

Systemtic Name: [3-butoxy-1,1,1-tris(fluoranyl)propan-2-yl] 4-(5-octoxypyrimidin-2-yl)benzoate Openeye Name: [1-(butoxymethyl)-2,2,2-trifluoro-ethyl] 4-(5-octoxypyrimidin-2-yl)benzoate CAS Name: 4-(5-octoxy-2-pyrimidinyl)benzoic acid (3-butoxy-1,1,1-trifluoropropan-2-yl) ester IUPAC Name: (3-butoxy-1,1,1-trifluoropropan-2-yl) 4-(5-octoxypyrimidin-2-yl)benzoate Traditional Name: 4-(5-octoxypyrimidin-2-yl)benzoic acid [1-(butoxymethyl)-2,2,2-trifluoro-ethyl] ester Formula: C26H35F3N2O4 MolecularWeight: 496.56231

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC(COCCCC)C(F)(F)F

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC(COCCCC)C(F)(F)F

InChI

InChI=1S/C26H35F3N2O4/c1-3-5-7-8-9-10-16-34-22-17-30-24(31-18-22)20-11-13-21(14-12-20)25(32)35-23(26(27,28)29)19-33-15-6-4-2/h11-14,17-18,23H,3-10,15-16,19H2,1-2H3