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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-indole-2-carboxylic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-indole-2-carboxylic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-2-indolecarboxylic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-5-methoxyindole-2-carboxylic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-methoxy-1-piperonyl-indole-2-carboxylic acid Formula: C25H19NO7 MolecularWeight: 445.42086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=C2C3=CC4=C(C=C3)OCO4)C(=O)O)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=C2C3=CC4=C(C=C3)OCO4)C(=O)O)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H19NO7/c1-29-16-4-5-18-17(10-16)23(15-3-7-20-22(9-15)33-13-31-20)24(25(27)28)26(18)11-14-2-6-19-21(8-14)32-12-30-19/h2-10H,11-13H2,1H3,(H,27,28)