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

Systemtic Name: [3-butoxy-1,1,1-tris(fluoranyl)propan-2-yl] 2-(4-nonylphenyl)pyrimidine-5-carboxylate Openeye Name: [1-(butoxymethyl)-2,2,2-trifluoro-ethyl] 2-(4-nonylphenyl)pyrimidine-5-carboxylate CAS Name: 2-(4-nonylphenyl)-5-pyrimidinecarboxylic acid (3-butoxy-1,1,1-trifluoropropan-2-yl) ester IUPAC Name: (3-butoxy-1,1,1-trifluoropropan-2-yl) 2-(4-nonylphenyl)pyrimidine-5-carboxylate Traditional Name: 2-(4-nonylphenyl)pyrimidine-5-carboxylic acid [1-(butoxymethyl)-2,2,2-trifluoro-ethyl] ester Formula: C27H37F3N2O3 MolecularWeight: 494.58949

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37F3N2O3/c1-3-5-7-8-9-10-11-12-21-13-15-22(16-14-21)25-31-18-23(19-32-25)26(33)35-24(27(28,29)30)20-34-17-6-4-2/h13-16,18-19,24H,3-12,17,20H2,1-2H3