ethyl 4-bromanyl-2-methanoyl-7-methyl-5-(2-phenylethanoyloxy)-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 4-bromanyl-2-methanoyl-7-methyl-5-(2-phenylethanoyloxy)-1-benzofuran-3-carboxylate Openeye Name: ethyl 4-bromo-2-formyl-7-methyl-5-(2-phenylacetyl)oxy-benzofuran-3-carboxylate CAS Name: 4-bromo-2-formyl-7-methyl-5-(1-oxo-2-phenylethoxy)-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-bromo-2-formyl-7-methyl-5-(2-phenylacetyl)oxy-1-benzofuran-3-carboxylate Traditional Name: 4-bromo-2-formyl-7-methyl-5-(2-phenylacetyl)oxy-benzofuran-3-carboxylic acid ethyl ester Formula: C21H17BrO6 MolecularWeight: 445.26008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2C)OC(=O)CC3=CC=CC=C3)Br)C=O

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C=C2C)OC(=O)CC3=CC=CC=C3)Br)C=O

InChI

InChI=1S/C21H17BrO6/c1-3-26-21(25)17-15(11-23)28-20-12(2)9-14(19(22)18(17)20)27-16(24)10-13-7-5-4-6-8-13/h4-9,11H,3,10H2,1-2H3