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

Systemtic Name: ethyl 4-bromanyl-2-methanoyl-5-(4-methoxyphenyl)carbonyloxy-7-methyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 4-bromo-2-formyl-5-(4-methoxybenzoyl)oxy-7-methyl-benzofuran-3-carboxylate CAS Name: 4-bromo-2-formyl-5-[(4-methoxyphenyl)-oxomethoxy]-7-methyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-bromo-2-formyl-5-(4-methoxybenzoyl)oxy-7-methyl-1-benzofuran-3-carboxylate Traditional Name: 4-bromo-2-formyl-7-methyl-5-p-anisoyloxy-benzofuran-3-carboxylic acid ethyl ester Formula: C21H17BrO7 MolecularWeight: 461.25948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrO7/c1-4-27-21(25)16-15(10-23)28-19-11(2)9-14(18(22)17(16)19)29-20(24)12-5-7-13(26-3)8-6-12/h5-10H,4H2,1-3H3