ethyl 6-bromanyl-2-methyl-5-(2-oxidanylidene-2-phenylmethoxy-ethoxy)-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-2-methyl-5-(2-oxidanylidene-2-phenylmethoxy-ethoxy)-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-(2-benzyloxy-2-oxo-ethoxy)-6-bromo-2-methyl-benzofuran-3-carboxylate CAS Name: 6-bromo-2-methyl-5-(2-oxo-2-phenylmethoxyethoxy)-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-2-methyl-5-(2-oxo-2-phenylmethoxyethoxy)-1-benzofuran-3-carboxylate Traditional Name: 5-(2-benzoxy-2-keto-ethoxy)-6-bromo-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C21H19BrO6 MolecularWeight: 447.27596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=CC(=C(C=C21)OCC(=O)OCC3=CC=CC=C3)Br)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=CC(=C(C=C21)OCC(=O)OCC3=CC=CC=C3)Br)C

InChI

InChI=1S/C21H19BrO6/c1-3-25-21(24)20-13(2)28-17-10-16(22)18(9-15(17)20)26-12-19(23)27-11-14-7-5-4-6-8-14/h4-10H,3,11-12H2,1-2H3