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

Systemtic Name: ethyl 6-bromanyl-5-(2,2-dimethylpropanoyloxy)-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 6-bromo-5-(2,2-dimethylpropanoyloxy)-2-phenyl-benzofuran-3-carboxylate CAS Name: 6-bromo-5-(2,2-dimethyl-1-oxopropoxy)-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-(2,2-dimethylpropanoyloxy)-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 6-bromo-2-phenyl-5-pivaloyloxy-benzofuran-3-carboxylic acid ethyl ester Formula: C22H21BrO5 MolecularWeight: 445.30314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrO5/c1-5-26-20(24)18-14-11-17(28-21(25)22(2,3)4)15(23)12-16(14)27-19(18)13-9-7-6-8-10-13/h6-12H,5H2,1-4H3