3-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-5,6-dimethoxy-indole-2-carboxylic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-5,6-dimethoxy-indole-2-carboxylic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-5,6-dimethoxy-indole-2-carboxylic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-5,6-dimethoxy-2-indolecarboxylic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-5,6-dimethoxyindole-2-carboxylic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-5,6-dimethoxy-1-piperonyl-indole-2-carboxylic acid Formula: C26H21NO8 MolecularWeight: 475.44684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(N2CC3=CC4=C(C=C3)OCO4)C(=O)O)C5=CC6=C(C=C5)OCO6)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(N2CC3=CC4=C(C=C3)OCO4)C(=O)O)C5=CC6=C(C=C5)OCO6)OC

InChI

InChI=1S/C26H21NO8/c1-30-20-9-16-17(10-21(20)31-2)27(11-14-3-5-18-22(7-14)34-12-32-18)25(26(28)29)24(16)15-4-6-19-23(8-15)35-13-33-19/h3-10H,11-13H2,1-2H3,(H,28,29)