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

Systemtic Name: [1,1,1-tris(fluoranyl)-3-methoxy-propan-2-yl] 2-(4-hexoxyphenyl)pyrimidine-5-carboxylate Openeye Name: [2,2,2-trifluoro-1-(methoxymethyl)ethyl] 2-(4-hexoxyphenyl)pyrimidine-5-carboxylate CAS Name: 2-(4-hexoxyphenyl)-5-pyrimidinecarboxylic acid (1,1,1-trifluoro-3-methoxypropan-2-yl) ester IUPAC Name: (1,1,1-trifluoro-3-methoxypropan-2-yl) 2-(4-hexoxyphenyl)pyrimidine-5-carboxylate Traditional Name: 2-(4-hexoxyphenyl)pyrimidine-5-carboxylic 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=CC=C(C=C1)C2=NC=C(C=N2)C(=O)OC(COC)C(F)(F)F

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)OC(COC)C(F)(F)F

InChI

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