[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 5-methoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-methoxy-3-methyl-2-benzofurancarboxylic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-methoxy-3-methyl-coumarilic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C21H20O5 MolecularWeight: 352.3805

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=C(C3=C(O2)C=CC(=C3)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=C(C3=C(O2)C=CC(=C3)OC)C

InChI

InChI=1S/C21H20O5/c1-12-5-6-13(2)16(9-12)18(22)11-25-21(23)20-14(3)17-10-15(24-4)7-8-19(17)26-20/h5-10H,11H2,1-4H3