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

Systemtic Name: [1,1,1-tris(fluoranyl)-3-methoxy-propan-2-yl] 4-(5-hexoxypyrimidin-2-yl)benzoate Openeye Name: [2,2,2-trifluoro-1-(methoxymethyl)ethyl] 4-(5-hexoxypyrimidin-2-yl)benzoate CAS Name: 4-(5-hexoxy-2-pyrimidinyl)benzoic acid (1,1,1-trifluoro-3-methoxypropan-2-yl) ester IUPAC Name: (1,1,1-trifluoro-3-methoxypropan-2-yl) 4-(5-hexoxypyrimidin-2-yl)benzoate Traditional Name: 4-(5-hexoxypyrimidin-2-yl)benzoic acid [2,2,2-trifluoro-1-(methoxymethyl)ethyl] ester Formula: C21H25F3N2O4 MolecularWeight: 426.42941

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC(COC)C(F)(F)F

Isomeric SMILES

CCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC(COC)C(F)(F)F

InChI

InChI=1S/C21H25F3N2O4/c1-3-4-5-6-11-29-17-12-25-19(26-13-17)15-7-9-16(10-8-15)20(27)30-18(14-28-2)21(22,23)24/h7-10,12-13,18H,3-6,11,14H2,1-2H3