4-[4-octoxy-5-phenyl-6-[1,1,1-tris(fluoranyl)octan-2-yloxycarbonyl]pyrimidin-2-yl]benzoate

Systemtic Name: 4-[4-octoxy-5-phenyl-6-[1,1,1-tris(fluoranyl)octan-2-yloxycarbonyl]pyrimidin-2-yl]benzoate Openeye Name: 4-[4-octoxy-5-phenyl-6-[1-(trifluoromethyl)heptoxycarbonyl]pyrimidin-2-yl]benzoate CAS Name: 4-[4-octoxy-6-[oxo(1,1,1-trifluorooctan-2-yloxy)methyl]-5-phenyl-2-pyrimidinyl]benzoate IUPAC Name: 4-[4-octoxy-5-phenyl-6-(1,1,1-trifluorooctan-2-yloxycarbonyl)pyrimidin-2-yl]benzoate Traditional Name: 4-[4-octoxy-5-phenyl-6-[1-(trifluoromethyl)heptoxycarbonyl]pyrimidin-2-yl]benzoate Formula: C34H40F3N2O5- MolecularWeight: 613.68701

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=NC(=NC(=C1C2=CC=CC=C2)C(=O)OC(CCCCCC)C(F)(F)F)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=NC(=NC(=C1C2=CC=CC=C2)C(=O)OC(CCCCCC)C(F)(F)F)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C34H41F3N2O5/c1-3-5-7-9-10-15-23-43-31-28(24-16-12-11-13-17-24)29(33(42)44-27(34(35,36)37)18-14-8-6-4-2)38-30(39-31)25-19-21-26(22-20-25)32(40)41/h11-13,16-17,19-22,27H,3-10,14-15,18,23H2,1-2H3,(H,40,41)/p-1