tert-butyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-fluoranyl-phenyl]carbonylamino]-3-methyl-butanoate

Systemtic Name: tert-butyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-fluoranyl-phenyl]carbonylamino]-3-methyl-butanoate Openeye Name: tert-butyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-fluoro-benzoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[[2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-fluorophenyl]-oxomethyl]amino]-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-fluorobenzoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-fluoro-benzoyl]amino]-3-methyl-butyric acid tert-butyl ester Formula: C22H28FN3O6 MolecularWeight: 449.472623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28FN3O6/c1-12(2)18(20(28)32-22(3,4)5)26-19(27)17-13(23)9-8-10-14(17)31-21-24-15(29-6)11-16(25-21)30-7/h8-12,18H,1-7H3,(H,26,27)/t18-/m0/s1