5-(1,3-benzodioxol-5-ylmethoxy)-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-phenyl-indole-2-carboxylic acid

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethoxy)-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-phenyl-indole-2-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-ylmethoxy)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenyl-indole-2-carboxylic acid CAS Name: 5-(1,3-benzodioxol-5-ylmethoxy)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenyl-2-indolecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-ylmethoxy)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenylindole-2-carboxylic acid Traditional Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenyl-5-piperonyloxy-indole-2-carboxylic acid Formula: C31H22ClNO7 MolecularWeight: 555.96188

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)COC3=CC4=C(C=C3)N(C(=C4C5=CC=CC=C5)C(=O)O)CC6=CC7=C(C=C6Cl)OCO7

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)COC3=CC4=C(C=C3)N(C(=C4C5=CC=CC=C5)C(=O)O)CC6=CC7=C(C=C6Cl)OCO7

InChI

InChI=1S/C31H22ClNO7/c32-23-13-28-27(39-17-40-28)11-20(23)14-33-24-8-7-21(36-15-18-6-9-25-26(10-18)38-16-37-25)12-22(24)29(30(33)31(34)35)19-4-2-1-3-5-19/h1-13H,14-17H2,(H,34,35)