2-[6-methoxy-7-(2,4,6-trimethylphenyl)carbonyl-2,3-dihydro-1-benzofuran-5-yl]ethanoic acid

Systemtic Name: 2-[6-methoxy-7-(2,4,6-trimethylphenyl)carbonyl-2,3-dihydro-1-benzofuran-5-yl]ethanoic acid Openeye Name: 2-[6-methoxy-7-(2,4,6-trimethylbenzoyl)-2,3-dihydrobenzofuran-5-yl]acetic acid CAS Name: 2-[6-methoxy-7-[oxo-(2,4,6-trimethylphenyl)methyl]-2,3-dihydrobenzofuran-5-yl]acetic acid IUPAC Name: 2-[6-methoxy-7-(2,4,6-trimethylbenzoyl)-2,3-dihydro-1-benzofuran-5-yl]acetic acid Traditional Name: 2-[6-methoxy-7-(2,4,6-trimethylbenzoyl)coumaran-5-yl]acetic acid Formula: C21H22O5 MolecularWeight: 354.39638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)C2=C3C(=CC(=C2OC)CC(=O)O)CCO3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)C2=C3C(=CC(=C2OC)CC(=O)O)CCO3)C

InChI

InChI=1S/C21H22O5/c1-11-7-12(2)17(13(3)8-11)19(24)18-20(25-4)15(10-16(22)23)9-14-5-6-26-21(14)18/h7-9H,5-6,10H2,1-4H3,(H,22,23)