3-[1,3-benzodioxol-5-yl-(2-carboxy-1H-indol-3-yl)methyl]-1H-indole-2-carboxylic acid

Systemtic Name: 3-[1,3-benzodioxol-5-yl-(2-carboxy-1H-indol-3-yl)methyl]-1H-indole-2-carboxylic acid Openeye Name: 3-[1,3-benzodioxol-5-yl-(2-carboxy-1H-indol-3-yl)methyl]-1H-indole-2-carboxylic acid CAS Name: 3-[1,3-benzodioxol-5-yl-(2-carboxy-1H-indol-3-yl)methyl]-1H-indole-2-carboxylic acid IUPAC Name: 3-[1,3-benzodioxol-5-yl-(2-carboxy-1H-indol-3-yl)methyl]-1H-indole-2-carboxylic acid Traditional Name: 3-[1,3-benzodioxol-5-yl-(2-carboxy-1H-indol-3-yl)methyl]-1H-indole-2-carboxylic acid Formula: C26H18N2O6 MolecularWeight: 454.43092

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C3=C(NC4=CC=CC=C43)C(=O)O)C5=C(NC6=CC=CC=C65)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C3=C(NC4=CC=CC=C43)C(=O)O)C5=C(NC6=CC=CC=C65)C(=O)O

InChI

InChI=1S/C26H18N2O6/c29-25(30)23-21(14-5-1-3-7-16(14)27-23)20(13-9-10-18-19(11-13)34-12-33-18)22-15-6-2-4-8-17(15)28-24(22)26(31)32/h1-11,20,27-28H,12H2,(H,29,30)(H,31,32)