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

Systemtic Name: 1,3-bis(1,3-benzodioxol-5-yl)-5-propoxy-indole-2-carboxylic acid Openeye Name: 1,3-bis(1,3-benzodioxol-5-yl)-5-propoxy-indole-2-carboxylic acid CAS Name: 1,3-bis(1,3-benzodioxol-5-yl)-5-propoxy-2-indolecarboxylic acid IUPAC Name: 1,3-bis(1,3-benzodioxol-5-yl)-5-propoxyindole-2-carboxylic acid Traditional Name: 1,3-bis(1,3-benzodioxol-5-yl)-5-propoxy-indole-2-carboxylic acid Formula: C26H21NO7 MolecularWeight: 459.44744

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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)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

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

InChI

InChI=1S/C26H21NO7/c1-2-9-30-17-5-6-19-18(12-17)24(15-3-7-20-22(10-15)33-13-31-20)25(26(28)29)27(19)16-4-8-21-23(11-16)34-14-32-21/h3-8,10-12H,2,9,13-14H2,1H3,(H,28,29)