[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C2=C(C3=C(O2)C=CC(=C3)Br)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)C2=C(C3=C(O2)C=CC(=C3)Br)C)C)C

InChI

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