prop-2-ynyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-fluoranyl-benzoate

Systemtic Name: prop-2-ynyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-fluoranyl-benzoate Openeye Name: prop-2-ynyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-fluoro-benzoate CAS Name: 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-fluorobenzoic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-fluorobenzoate Traditional Name: 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-fluoro-benzoic acid propargyl ester Formula: C16H13FN2O5 MolecularWeight: 332.283223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)F)C(=O)OCC#C)OC

Isomeric SMILES

COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)F)C(=O)OCC#C)OC

InChI

InChI=1S/C16H13FN2O5/c1-4-8-23-15(20)14-10(17)6-5-7-11(14)24-16-18-12(21-2)9-13(19-16)22-3/h1,5-7,9H,8H2,2-3H3