ethyl 6-bromanyl-5-(2-methylpropanoyloxy)-2-phenyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-5-(2-methylpropanoyloxy)-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 6-bromo-5-(2-methylpropanoyloxy)-2-phenyl-benzofuran-3-carboxylate CAS Name: 6-bromo-5-(2-methyl-1-oxopropoxy)-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-(2-methylpropanoyloxy)-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 6-bromo-5-isobutyryloxy-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C21H19BrO5 MolecularWeight: 431.27656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrO5/c1-4-25-21(24)18-14-10-17(27-20(23)12(2)3)15(22)11-16(14)26-19(18)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3