diethyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-fluoranyl-phenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-fluoranyl-phenyl]carbonylamino]pentanedioate Openeye Name: diethyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-fluoro-benzoyl]amino]pentanedioate CAS Name: (2S)-2-[[[2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-fluorophenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-fluorobenzoyl]amino]pentanedioate Traditional Name: (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-fluoro-benzoyl]amino]glutaric acid diethyl ester Formula: C22H26FN3O8 MolecularWeight: 479.455543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=C(C=CC=C1F)OC2=NC(=CC(=N2)OC)OC

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=C(C=CC=C1F)OC2=NC(=CC(=N2)OC)OC

InChI

InChI=1S/C22H26FN3O8/c1-5-32-18(27)11-10-14(21(29)33-6-2)24-20(28)19-13(23)8-7-9-15(19)34-22-25-16(30-3)12-17(26-22)31-4/h7-9,12,14H,5-6,10-11H2,1-4H3,(H,24,28)/t14-/m0/s1