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

Systemtic Name: [3-ethoxy-1,1,1-tris(fluoranyl)propan-2-yl] 2-(4-octoxyphenyl)pyrimidine-5-carboxylate Openeye Name: [1-(ethoxymethyl)-2,2,2-trifluoro-ethyl] 2-(4-octoxyphenyl)pyrimidine-5-carboxylate CAS Name: 2-(4-octoxyphenyl)-5-pyrimidinecarboxylic acid (3-ethoxy-1,1,1-trifluoropropan-2-yl) ester IUPAC Name: (3-ethoxy-1,1,1-trifluoropropan-2-yl) 2-(4-octoxyphenyl)pyrimidine-5-carboxylate Traditional Name: 2-(4-octoxyphenyl)pyrimidine-5-carboxylic acid [1-(ethoxymethyl)-2,2,2-trifluoro-ethyl] ester Formula: C24H31F3N2O4 MolecularWeight: 468.50915

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)OC(COCC)C(F)(F)F

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)OC(COCC)C(F)(F)F

InChI

InChI=1S/C24H31F3N2O4/c1-3-5-6-7-8-9-14-32-20-12-10-18(11-13-20)22-28-15-19(16-29-22)23(30)33-21(17-31-4-2)24(25,26)27/h10-13,15-16,21H,3-9,14,17H2,1-2H3