methyl 2-[4,6-bis(bromanyl)-5-(4-methoxy-3-propan-2-yl-phenoxy)-1-benzofuran-2-yl]ethanoate

Systemtic Name: methyl 2-[4,6-bis(bromanyl)-5-(4-methoxy-3-propan-2-yl-phenoxy)-1-benzofuran-2-yl]ethanoate Openeye Name: methyl 2-[4,6-dibromo-5-(3-isopropyl-4-methoxy-phenoxy)benzofuran-2-yl]acetate CAS Name: 2-[4,6-dibromo-5-(4-methoxy-3-propan-2-ylphenoxy)-2-benzofuranyl]acetic acid methyl ester IUPAC Name: methyl 2-[4,6-dibromo-5-(4-methoxy-3-propan-2-ylphenoxy)-1-benzofuran-2-yl]acetate Traditional Name: 2-[4,6-dibromo-5-(3-isopropyl-4-methoxy-phenoxy)benzofuran-2-yl]acetic acid methyl ester Formula: C21H20Br2O5 MolecularWeight: 512.1885

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)OC2=C(C=C3C(=C2Br)C=C(O3)CC(=O)OC)Br)OC

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)OC2=C(C=C3C(=C2Br)C=C(O3)CC(=O)OC)Br)OC

InChI

InChI=1S/C21H20Br2O5/c1-11(2)14-7-12(5-6-17(14)25-3)28-21-16(22)10-18-15(20(21)23)8-13(27-18)9-19(24)26-4/h5-8,10-11H,9H2,1-4H3