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

Systemtic Name: propan-2-yl 5-[2-(4-bromophenyl)-2-oxidanylidene-ethoxy]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C21H19BrO5 MolecularWeight: 431.27656

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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)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrO5/c1-12(2)26-21(24)20-13(3)27-19-9-8-16(10-17(19)20)25-11-18(23)14-4-6-15(22)7-5-14/h4-10,12H,11H2,1-3H3