tert-butyl 2-[[2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl]oxy]ethanoate

Systemtic Name: tert-butyl 2-[[2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl]oxy]ethanoate Openeye Name: tert-butyl 2-[2-[(5-bromo-2-methoxy-phenyl)methylene]-3-oxo-benzofuran-6-yl]oxyacetate CAS Name: 2-[[2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-6-benzofuranyl]oxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate Traditional Name: 2-[2-(5-bromo-2-methoxy-benzylidene)-3-keto-coumaran-6-yl]oxyacetic acid tert-butyl ester Formula: C22H21BrO6 MolecularWeight: 461.30254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1=CC2=C(C=C1)C(=O)C(=CC3=C(C=CC(=C3)Br)OC)O2

Isomeric SMILES

CC(C)(C)OC(=O)COC1=CC2=C(C=C1)C(=O)C(=CC3=C(C=CC(=C3)Br)OC)O2

InChI

InChI=1S/C22H21BrO6/c1-22(2,3)29-20(24)12-27-15-6-7-16-18(11-15)28-19(21(16)25)10-13-9-14(23)5-8-17(13)26-4/h5-11H,12H2,1-4H3