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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)OC(COC)C(F)(F)F

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)OC(COC)C(F)(F)F

InChI

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