methyl 4-(2,3,4-trimethoxy-6-methoxycarbonyl-phenyl)-1,3-benzodioxole-5-carboxylate

Systemtic Name: methyl 4-(2,3,4-trimethoxy-6-methoxycarbonyl-phenyl)-1,3-benzodioxole-5-carboxylate Openeye Name: methyl 4-(2,3,4-trimethoxy-6-methoxycarbonyl-phenyl)-1,3-benzodioxole-5-carboxylate CAS Name: 4-(2,3,4-trimethoxy-6-methoxycarbonylphenyl)-1,3-benzodioxole-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(2,3,4-trimethoxy-6-methoxycarbonylphenyl)-1,3-benzodioxole-5-carboxylate Traditional Name: 4-(6-carbomethoxy-2,3,4-trimethoxy-phenyl)-piperonylic acid methyl ester Formula: C20H20O9 MolecularWeight: 404.3674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)OC)C2=C(C=CC3=C2OCO3)C(=O)OC)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)OC)C2=C(C=CC3=C2OCO3)C(=O)OC)OC)OC

InChI

InChI=1S/C20H20O9/c1-23-13-8-11(20(22)27-5)15(18(25-3)17(13)24-2)14-10(19(21)26-4)6-7-12-16(14)29-9-28-12/h6-8H,9H2,1-5H3