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

Systemtic Name: [3-butoxy-1,1,1-tris(fluoranyl)propan-2-yl] 2-(4-octoxyphenyl)pyrimidine-5-carboxylate Openeye Name: [1-(butoxymethyl)-2,2,2-trifluoro-ethyl] 2-(4-octoxyphenyl)pyrimidine-5-carboxylate CAS Name: 2-(4-octoxyphenyl)-5-pyrimidinecarboxylic acid (3-butoxy-1,1,1-trifluoropropan-2-yl) ester IUPAC Name: (3-butoxy-1,1,1-trifluoropropan-2-yl) 2-(4-octoxyphenyl)pyrimidine-5-carboxylate Traditional Name: 2-(4-octoxyphenyl)pyrimidine-5-carboxylic acid [1-(butoxymethyl)-2,2,2-trifluoro-ethyl] ester Formula: C26H35F3N2O4 MolecularWeight: 496.56231

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35F3N2O4/c1-3-5-7-8-9-10-16-34-22-13-11-20(12-14-22)24-30-17-21(18-31-24)25(32)35-23(26(27,28)29)19-33-15-6-4-2/h11-14,17-18,23H,3-10,15-16,19H2,1-2H3