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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-5-phenylmethoxy-indole-2-carboxylic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-5-benzyloxy-indole-2-carboxylic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-5-phenylmethoxy-2-indolecarboxylic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-5-phenylmethoxyindole-2-carboxylic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-benzoxy-1-piperonyl-indole-2-carboxylic acid Formula: C31H23NO7 MolecularWeight: 521.51682

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C4=C(C=C(C=C4)OCC5=CC=CC=C5)C(=C3C(=O)O)C6=CC7=C(C=C6)OCO7

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C4=C(C=C(C=C4)OCC5=CC=CC=C5)C(=C3C(=O)O)C6=CC7=C(C=C6)OCO7

InChI

InChI=1S/C31H23NO7/c33-31(34)30-29(21-7-11-26-28(13-21)39-18-37-26)23-14-22(35-16-19-4-2-1-3-5-19)8-9-24(23)32(30)15-20-6-10-25-27(12-20)38-17-36-25/h1-14H,15-18H2,(H,33,34)