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

Systemtic Name: [3-ethoxy-1,1,1-tris(fluoranyl)propan-2-yl] 4-(5-hexoxypyrimidin-2-yl)benzoate Openeye Name: [1-(ethoxymethyl)-2,2,2-trifluoro-ethyl] 4-(5-hexoxypyrimidin-2-yl)benzoate CAS Name: 4-(5-hexoxy-2-pyrimidinyl)benzoic acid (3-ethoxy-1,1,1-trifluoropropan-2-yl) ester IUPAC Name: (3-ethoxy-1,1,1-trifluoropropan-2-yl) 4-(5-hexoxypyrimidin-2-yl)benzoate Traditional Name: 4-(5-hexoxypyrimidin-2-yl)benzoic acid [1-(ethoxymethyl)-2,2,2-trifluoro-ethyl] ester Formula: C22H27F3N2O4 MolecularWeight: 440.45599

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27F3N2O4/c1-3-5-6-7-12-30-18-13-26-20(27-14-18)16-8-10-17(11-9-16)21(28)31-19(15-29-4-2)22(23,24)25/h8-11,13-14,19H,3-7,12,15H2,1-2H3