4-(1,3-benzodioxol-5-ylmethoxy)-3-methyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethoxy)-3-methyl-1-benzofuran-2-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-ylmethoxy)-3-methyl-benzofuran-2-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-ylmethoxy)-3-methyl-2-benzofurancarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-ylmethoxy)-3-methyl-1-benzofuran-2-carboxylic acid Traditional Name: 3-methyl-4-piperonyloxy-coumarilic acid Formula: C18H14O6 MolecularWeight: 326.30016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=CC=C2)OCC3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C(=CC=C2)OCC3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C18H14O6/c1-10-16-13(3-2-4-14(16)24-17(10)18(19)20)21-8-11-5-6-12-15(7-11)23-9-22-12/h2-7H,8-9H2,1H3,(H,19,20)