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

Systemtic Name: [1,1,1-tris(fluoranyl)-3-propoxy-propan-2-yl] 4-(5-heptoxypyrimidin-2-yl)benzoate Openeye Name: [2,2,2-trifluoro-1-(propoxymethyl)ethyl] 4-(5-heptoxypyrimidin-2-yl)benzoate CAS Name: 4-(5-heptoxy-2-pyrimidinyl)benzoic acid (1,1,1-trifluoro-3-propoxypropan-2-yl) ester IUPAC Name: (1,1,1-trifluoro-3-propoxypropan-2-yl) 4-(5-heptoxypyrimidin-2-yl)benzoate Traditional Name: 4-(5-heptoxypyrimidin-2-yl)benzoic acid [2,2,2-trifluoro-1-(propoxymethyl)ethyl] ester Formula: C24H31F3N2O4 MolecularWeight: 468.50915

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC(COCCC)C(F)(F)F

Isomeric SMILES

CCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC(COCCC)C(F)(F)F

InChI

InChI=1S/C24H31F3N2O4/c1-3-5-6-7-8-14-32-20-15-28-22(29-16-20)18-9-11-19(12-10-18)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