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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-5-propoxy-indole-2-carboxylic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-5-propoxy-indole-2-carboxylic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-5-propoxy-2-indolecarboxylic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-5-propoxyindole-2-carboxylic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-piperonyl-5-propoxy-indole-2-carboxylic acid Formula: C27H23NO7 MolecularWeight: 473.47402

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)N(C(=C2C3=CC4=C(C=C3)OCO4)C(=O)O)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCCOC1=CC2=C(C=C1)N(C(=C2C3=CC4=C(C=C3)OCO4)C(=O)O)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H23NO7/c1-2-9-31-18-5-6-20-19(12-18)25(17-4-8-22-24(11-17)35-15-33-22)26(27(29)30)28(20)13-16-3-7-21-23(10-16)34-14-32-21/h3-8,10-12H,2,9,13-15H2,1H3,(H,29,30)