7-methoxy-4-[7-methoxy-5-[2-(methylamino)ethoxycarbonyl]-1,3-benzodioxol-4-yl]-1,3-benzodioxole-5-carboxylic acid

Systemtic Name: 7-methoxy-4-[7-methoxy-5-[2-(methylamino)ethoxycarbonyl]-1,3-benzodioxol-4-yl]-1,3-benzodioxole-5-carboxylic acid Openeye Name: 7-methoxy-4-[7-methoxy-5-[2-(methylamino)ethoxycarbonyl]-1,3-benzodioxol-4-yl]-1,3-benzodioxole-5-carboxylic acid CAS Name: 7-methoxy-4-[7-methoxy-5-[2-(methylamino)ethoxy-oxomethyl]-1,3-benzodioxol-4-yl]-1,3-benzodioxole-5-carboxylic acid IUPAC Name: 7-methoxy-4-[7-methoxy-5-[2-(methylamino)ethoxycarbonyl]-1,3-benzodioxol-4-yl]-1,3-benzodioxole-5-carboxylic acid Traditional Name: 7-methoxy-4-[7-methoxy-5-[2-(methylamino)ethoxycarbonyl]-1,3-benzodioxol-4-yl]-piperonylic acid Formula: C21H21NO10 MolecularWeight: 447.39214

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Descriptors Computed from Structure

Canonical SMILES:

CNCCOC(=O)C1=CC(=C2C(=C1C3=C4C(=C(C=C3C(=O)O)OC)OCO4)OCO2)OC

Isomeric SMILES

CNCCOC(=O)C1=CC(=C2C(=C1C3=C4C(=C(C=C3C(=O)O)OC)OCO4)OCO2)OC

InChI

InChI=1S/C21H21NO10/c1-22-4-5-28-21(25)11-7-13(27-3)17-19(32-9-30-17)15(11)14-10(20(23)24)6-12(26-2)16-18(14)31-8-29-16/h6-7,22H,4-5,8-9H2,1-3H3,(H,23,24)