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

Systemtic Name: ethyl 4-bromanyl-5-(4-butoxyphenyl)carbonyloxy-2-methanoyl-7-methyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 4-bromo-5-(4-butoxybenzoyl)oxy-2-formyl-7-methyl-benzofuran-3-carboxylate CAS Name: 4-bromo-5-[(4-butoxyphenyl)-oxomethoxy]-2-formyl-7-methyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-bromo-5-(4-butoxybenzoyl)oxy-2-formyl-7-methyl-1-benzofuran-3-carboxylate Traditional Name: 4-bromo-5-(4-butoxybenzoyl)oxy-2-formyl-7-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C24H23BrO7 MolecularWeight: 503.33922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C3=C(C(=C2)C)OC(=C3C(=O)OCC)C=O)Br

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C3=C(C(=C2)C)OC(=C3C(=O)OCC)C=O)Br

InChI

InChI=1S/C24H23BrO7/c1-4-6-11-30-16-9-7-15(8-10-16)23(27)32-17-12-14(3)22-20(21(17)25)19(18(13-26)31-22)24(28)29-5-2/h7-10,12-13H,4-6,11H2,1-3H3