tert-butyl 3-[[4,6-bis(bromanyl)-5-oxidanyl-1-benzofuran-2-yl]carbonylamino]-3-methyl-butanoate

Systemtic Name: tert-butyl 3-[[4,6-bis(bromanyl)-5-oxidanyl-1-benzofuran-2-yl]carbonylamino]-3-methyl-butanoate Openeye Name: tert-butyl 3-[(4,6-dibromo-5-hydroxy-benzofuran-2-carbonyl)amino]-3-methyl-butanoate CAS Name: 3-[[(4,6-dibromo-5-hydroxy-2-benzofuranyl)-oxomethyl]amino]-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(4,6-dibromo-5-hydroxy-1-benzofuran-2-carbonyl)amino]-3-methylbutanoate Traditional Name: 3-[(4,6-dibromo-5-hydroxy-benzofuran-2-carbonyl)amino]-3-methyl-butyric acid tert-butyl ester Formula: C18H21Br2NO5 MolecularWeight: 491.17104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C)(C)NC(=O)C1=CC2=C(C(=C(C=C2O1)Br)O)Br

Isomeric SMILES

CC(C)(C)OC(=O)CC(C)(C)NC(=O)C1=CC2=C(C(=C(C=C2O1)Br)O)Br

InChI

InChI=1S/C18H21Br2NO5/c1-17(2,3)26-13(22)8-18(4,5)21-16(24)12-6-9-11(25-12)7-10(19)15(23)14(9)20/h6-7,23H,8H2,1-5H3,(H,21,24)