propan-2-yl 6-bromanyl-2-methyl-5-(2-methylphenyl)carbonyloxy-1-benzofuran-3-carboxylate

Systemtic Name: propan-2-yl 6-bromanyl-2-methyl-5-(2-methylphenyl)carbonyloxy-1-benzofuran-3-carboxylate Openeye Name: isopropyl 6-bromo-2-methyl-5-(2-methylbenzoyl)oxy-benzofuran-3-carboxylate CAS Name: 6-bromo-2-methyl-5-[(2-methylphenyl)-oxomethoxy]-3-benzofurancarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-bromo-2-methyl-5-(2-methylbenzoyl)oxy-1-benzofuran-3-carboxylate Traditional Name: 6-bromo-2-methyl-5-o-toluoyloxy-benzofuran-3-carboxylic acid isopropyl ester Formula: C21H19BrO5 MolecularWeight: 431.27656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC2=C(C=C3C(=C2)C(=C(O3)C)C(=O)OC(C)C)Br

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC2=C(C=C3C(=C2)C(=C(O3)C)C(=O)OC(C)C)Br

InChI

InChI=1S/C21H19BrO5/c1-11(2)25-21(24)19-13(4)26-17-10-16(22)18(9-15(17)19)27-20(23)14-8-6-5-7-12(14)3/h5-11H,1-4H3