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

Systemtic Name: tert-butyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]carbonylamino]butanoate Openeye Name: tert-butyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]butanoate CAS Name: (2S)-2-[[[2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]phenyl]-oxomethyl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]butanoate Traditional Name: (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]butyric acid tert-butyl ester Formula: C21H27N3O6 MolecularWeight: 417.45558

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC(C)(C)C)NC(=O)C1=CC=CC=C1OC2=NC(=CC(=N2)OC)OC

Isomeric SMILES

CC[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=CC=CC=C1OC2=NC(=CC(=N2)OC)OC

InChI

InChI=1S/C21H27N3O6/c1-7-14(19(26)30-21(2,3)4)22-18(25)13-10-8-9-11-15(13)29-20-23-16(27-5)12-17(24-20)28-6/h8-12,14H,7H2,1-6H3,(H,22,25)/t14-/m0/s1