ethyl 6-bromanyl-5-(3,3-dimethyl-2-oxidanylidene-butoxy)-2-phenyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-5-(3,3-dimethyl-2-oxidanylidene-butoxy)-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 6-bromo-5-(3,3-dimethyl-2-oxo-butoxy)-2-phenyl-benzofuran-3-carboxylate CAS Name: 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 6-bromo-5-(2-keto-3,3-dimethyl-butoxy)-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C23H23BrO5 MolecularWeight: 459.32972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23BrO5/c1-5-27-22(26)20-15-11-18(28-13-19(25)23(2,3)4)16(24)12-17(15)29-21(20)14-9-7-6-8-10-14/h6-12H,5,13H2,1-4H3