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

Systemtic Name: [1,1,1-tris(fluoranyl)-3-propoxy-propan-2-yl] 2-(4-octylphenyl)pyrimidine-5-carboxylate Openeye Name: [2,2,2-trifluoro-1-(propoxymethyl)ethyl] 2-(4-octylphenyl)pyrimidine-5-carboxylate CAS Name: 2-(4-octylphenyl)-5-pyrimidinecarboxylic acid (1,1,1-trifluoro-3-propoxypropan-2-yl) ester IUPAC Name: (1,1,1-trifluoro-3-propoxypropan-2-yl) 2-(4-octylphenyl)pyrimidine-5-carboxylate Traditional Name: 2-(4-octylphenyl)pyrimidine-5-carboxylic acid [2,2,2-trifluoro-1-(propoxymethyl)ethyl] ester Formula: C25H33F3N2O3 MolecularWeight: 466.53633

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)OC(COCCC)C(F)(F)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)OC(COCCC)C(F)(F)F

InChI

InChI=1S/C25H33F3N2O3/c1-3-5-6-7-8-9-10-19-11-13-20(14-12-19)23-29-16-21(17-30-23)24(31)33-22(25(26,27)28)18-32-15-4-2/h11-14,16-17,22H,3-10,15,18H2,1-2H3