ethyl 6-bromanyl-5-(2-oxidanylidene-2-propan-2-yloxy-ethoxy)-2-phenyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-5-(2-oxidanylidene-2-propan-2-yloxy-ethoxy)-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 6-bromo-5-(2-isopropoxy-2-oxo-ethoxy)-2-phenyl-benzofuran-3-carboxylate CAS Name: 6-bromo-5-(2-oxo-2-propan-2-yloxyethoxy)-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-(2-oxo-2-propan-2-yloxyethoxy)-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 6-bromo-5-(2-isopropoxy-2-keto-ethoxy)-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C22H21BrO6 MolecularWeight: 461.30254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrO6/c1-4-26-22(25)20-15-10-18(27-12-19(24)28-13(2)3)16(23)11-17(15)29-21(20)14-8-6-5-7-9-14/h5-11,13H,4,12H2,1-3H3