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

Systemtic Name: ethyl 6-bromanyl-5-(3,3-dimethyl-2-oxidanylidene-butoxy)-2-methyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 6-bromo-5-(3,3-dimethyl-2-oxo-butoxy)-2-methyl-benzofuran-3-carboxylate CAS Name: 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 6-bromo-5-(2-keto-3,3-dimethyl-butoxy)-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C18H21BrO5 MolecularWeight: 397.26034

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrO5/c1-6-22-17(21)16-10(2)24-13-8-12(19)14(7-11(13)16)23-9-15(20)18(3,4)5/h7-8H,6,9H2,1-5H3