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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-6-propoxy-indole-2-carboxylic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-6-propoxy-indole-2-carboxylic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-6-propoxy-2-indolecarboxylic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-6-propoxyindole-2-carboxylic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-piperonyl-6-propoxy-indole-2-carboxylic acid Formula: C27H23NO7 MolecularWeight: 473.47402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)C(=C(N2CC3=CC4=C(C=C3)OCO4)C(=O)O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCCOC1=CC2=C(C=C1)C(=C(N2CC3=CC4=C(C=C3)OCO4)C(=O)O)C5=CC6=C(C=C5)OCO6

InChI

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