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

Systemtic Name: ethyl 6-bromanyl-5-(1-ethoxy-1-oxidanylidene-propan-2-yl)oxy-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 6-bromo-5-(2-ethoxy-1-methyl-2-oxo-ethoxy)-2-phenyl-benzofuran-3-carboxylate CAS Name: 6-bromo-5-(1-ethoxy-1-oxopropan-2-yl)oxy-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-(1-ethoxy-1-oxopropan-2-yl)oxy-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 6-bromo-5-(2-ethoxy-2-keto-1-methyl-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)OC(C)C(=O)OCC)Br)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrO6/c1-4-26-21(24)13(3)28-18-11-15-17(12-16(18)23)29-20(14-9-7-6-8-10-14)19(15)22(25)27-5-2/h6-13H,4-5H2,1-3H3