2,2,2-tris(fluoranyl)ethyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-ethynyl-benzoate

Systemtic Name: 2,2,2-tris(fluoranyl)ethyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-ethynyl-benzoate Openeye Name: 2,2,2-trifluoroethyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-ethynyl-benzoate CAS Name: 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-ethynylbenzoic acid 2,2,2-trifluoroethyl ester IUPAC Name: 2,2,2-trifluoroethyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-ethynylbenzoate Traditional Name: 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-ethynyl-benzoic acid 2,2,2-trifluoroethyl ester Formula: C17H13F3N2O5 MolecularWeight: 382.29073

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)OC2=CC=CC(=C2C(=O)OCC(F)(F)F)C#C)OC

Isomeric SMILES

COC1=CC(=NC(=N1)OC2=CC=CC(=C2C(=O)OCC(F)(F)F)C#C)OC

InChI

InChI=1S/C17H13F3N2O5/c1-4-10-6-5-7-11(14(10)15(23)26-9-17(18,19)20)27-16-21-12(24-2)8-13(22-16)25-3/h1,5-8H,9H2,2-3H3