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

Systemtic Name: [1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylphenyl)-1-oxopropan-2-yl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H19BrO4 MolecularWeight: 415.27716

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=C(C3=C(O2)C=CC(=C3)Br)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=C(C3=C(O2)C=CC(=C3)Br)C

InChI

InChI=1S/C21H19BrO4/c1-4-14-5-7-15(8-6-14)19(23)13(3)25-21(24)20-12(2)17-11-16(22)9-10-18(17)26-20/h5-11,13H,4H2,1-3H3