diethyl 2-[1-ethoxy-2-(5-fluoranyl-6-oxidanylidene-1H-pyrimidin-2-yl)-2-(4-methoxyphenyl)ethyl]propanedioate

Systemtic Name: diethyl 2-[1-ethoxy-2-(5-fluoranyl-6-oxidanylidene-1H-pyrimidin-2-yl)-2-(4-methoxyphenyl)ethyl]propanedioate Openeye Name: diethyl 2-[1-ethoxy-2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)-2-(4-methoxyphenyl)ethyl]propanedioate CAS Name: 2-[1-ethoxy-2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)-2-(4-methoxyphenyl)ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[1-ethoxy-2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)-2-(4-methoxyphenyl)ethyl]propanedioate Traditional Name: 2-[1-ethoxy-2-(5-fluoro-6-keto-1H-pyrimidin-2-yl)-2-(4-methoxyphenyl)ethyl]malonic acid diethyl ester Formula: C22H27FN2O7 MolecularWeight: 450.457383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(C1=CC=C(C=C1)OC)C2=NC=C(C(=O)N2)F)C(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC(C(C1=CC=C(C=C1)OC)C2=NC=C(C(=O)N2)F)C(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C22H27FN2O7/c1-5-30-18(17(21(27)31-6-2)22(28)32-7-3)16(13-8-10-14(29-4)11-9-13)19-24-12-15(23)20(26)25-19/h8-12,16-18H,5-7H2,1-4H3,(H,24,25,26)