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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)OC(COCC)C(F)(F)F

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)OC(COCC)C(F)(F)F

InChI

InChI=1S/C25H33F3N2O3/c1-3-5-6-7-8-9-10-11-19-12-14-20(15-13-19)23-29-16-21(17-30-23)24(31)33-22(18-32-4-2)25(26,27)28/h12-17,22H,3-11,18H2,1-2H3