tert-butyl 2-[[4,6-bis(bromanyl)-5-oxidanyl-1-benzofuran-3-yl]carbonyl-propan-2-yl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[4,6-bis(bromanyl)-5-oxidanyl-1-benzofuran-3-yl]carbonyl-propan-2-yl-amino]ethanoate Openeye Name: tert-butyl 2-[(4,6-dibromo-5-hydroxy-benzofuran-3-carbonyl)-isopropyl-amino]acetate CAS Name: 2-[[(4,6-dibromo-5-hydroxy-3-benzofuranyl)-oxomethyl]-propan-2-ylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4,6-dibromo-5-hydroxy-1-benzofuran-3-carbonyl)-propan-2-ylamino]acetate Traditional Name: 2-[(4,6-dibromo-5-hydroxy-benzofuran-3-carbonyl)-isopropyl-amino]acetic acid tert-butyl ester Formula: C18H21Br2NO5 MolecularWeight: 491.17104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC(=O)OC(C)(C)C)C(=O)C1=COC2=CC(=C(C(=C21)Br)O)Br

Isomeric SMILES

CC(C)N(CC(=O)OC(C)(C)C)C(=O)C1=COC2=CC(=C(C(=C21)Br)O)Br

InChI

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