4-(1,3-benzodioxol-5-yl)-3-(7-methoxy-2-methyl-1-benzofuran-4-yl)butanoic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-3-(7-methoxy-2-methyl-1-benzofuran-4-yl)butanoic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-3-(7-methoxy-2-methyl-benzofuran-4-yl)butanoic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-3-(7-methoxy-2-methyl-4-benzofuranyl)butanoic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-3-(7-methoxy-2-methyl-1-benzofuran-4-yl)butanoic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-3-(7-methoxy-2-methyl-benzofuran-4-yl)butyric acid Formula: C21H20O6 MolecularWeight: 368.3799

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC(=C2O1)OC)C(CC3=CC4=C(C=C3)OCO4)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=CC(=C2O1)OC)C(CC3=CC4=C(C=C3)OCO4)CC(=O)O

InChI

InChI=1S/C21H20O6/c1-12-7-16-15(4-6-18(24-2)21(16)27-12)14(10-20(22)23)8-13-3-5-17-19(9-13)26-11-25-17/h3-7,9,14H,8,10-11H2,1-2H3,(H,22,23)