4-[5-methoxy-2-methyl-3-(phenylcarbonyl)-1-benzofuran-6-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-methoxy-2-methyl-3-(phenylcarbonyl)-1-benzofuran-6-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-benzoyl-5-methoxy-2-methyl-benzofuran-6-yl)-4-oxo-butanoic acid CAS Name: 4-(3-benzoyl-5-methoxy-2-methyl-6-benzofuranyl)-4-oxobutanoic acid IUPAC Name: 4-(3-benzoyl-5-methoxy-2-methyl-1-benzofuran-6-yl)-4-oxobutanoic acid Traditional Name: 4-(3-benzoyl-5-methoxy-2-methyl-benzofuran-6-yl)-4-keto-butyric acid Formula: C21H18O6 MolecularWeight: 366.36402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C=C2O1)C(=O)CCC(=O)O)OC)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=CC(=C(C=C2O1)C(=O)CCC(=O)O)OC)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H18O6/c1-12-20(21(25)13-6-4-3-5-7-13)15-11-17(26-2)14(10-18(15)27-12)16(22)8-9-19(23)24/h3-7,10-11H,8-9H2,1-2H3,(H,23,24)