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

Systemtic Name: [3-ethoxy-1,1,1-tris(fluoranyl)propan-2-yl] 2-(4-hexylphenyl)pyrimidine-5-carboxylate Openeye Name: [1-(ethoxymethyl)-2,2,2-trifluoro-ethyl] 2-(4-hexylphenyl)pyrimidine-5-carboxylate CAS Name: 2-(4-hexylphenyl)-5-pyrimidinecarboxylic acid (3-ethoxy-1,1,1-trifluoropropan-2-yl) ester IUPAC Name: (3-ethoxy-1,1,1-trifluoropropan-2-yl) 2-(4-hexylphenyl)pyrimidine-5-carboxylate Traditional Name: 2-(4-hexylphenyl)pyrimidine-5-carboxylic acid [1-(ethoxymethyl)-2,2,2-trifluoro-ethyl] ester Formula: C22H27F3N2O3 MolecularWeight: 424.45659

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)OC(COCC)C(F)(F)F

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)OC(COCC)C(F)(F)F

InChI

InChI=1S/C22H27F3N2O3/c1-3-5-6-7-8-16-9-11-17(12-10-16)20-26-13-18(14-27-20)21(28)30-19(15-29-4-2)22(23,24)25/h9-14,19H,3-8,15H2,1-2H3