tert-butyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-fluoranyl-phenyl]carbonylamino]butanoate

Systemtic Name: tert-butyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-fluoranyl-phenyl]carbonylamino]butanoate Openeye Name: tert-butyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-fluoro-benzoyl]amino]butanoate CAS Name: (2S)-2-[[[2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-fluorophenyl]-oxomethyl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-fluorobenzoyl]amino]butanoate Traditional Name: (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-fluoro-benzoyl]amino]butyric acid tert-butyl ester Formula: C21H26FN3O6 MolecularWeight: 435.446043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN3O6/c1-7-13(19(27)31-21(2,3)4)23-18(26)17-12(22)9-8-10-14(17)30-20-24-15(28-5)11-16(25-20)29-6/h8-11,13H,7H2,1-6H3,(H,23,26)/t13-/m0/s1