2-methoxyethyl 5-[2-(4-bromophenyl)-2-oxidanylidene-ethoxy]-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: 2-methoxyethyl 5-[2-(4-bromophenyl)-2-oxidanylidene-ethoxy]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: 2-methoxyethyl 5-[2-(4-bromophenyl)-2-oxo-ethoxy]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[2-(4-bromophenyl)-2-oxoethoxy]-2-methyl-3-benzofurancarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 5-[2-(4-bromophenyl)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[2-(4-bromophenyl)-2-keto-ethoxy]-2-methyl-benzofuran-3-carboxylic acid 2-methoxyethyl ester Formula: C21H19BrO6 MolecularWeight: 447.27596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2)OCC(=O)C3=CC=C(C=C3)Br)C(=O)OCCOC

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2)OCC(=O)C3=CC=C(C=C3)Br)C(=O)OCCOC

InChI

InChI=1S/C21H19BrO6/c1-13-20(21(24)26-10-9-25-2)17-11-16(7-8-19(17)28-13)27-12-18(23)14-3-5-15(22)6-4-14/h3-8,11H,9-10,12H2,1-2H3