2-[4-[[2-(1,3-benzodioxol-5-ylmethoxy)-3-methyl-5-phenylmethoxy-indol-1-yl]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[[2-(1,3-benzodioxol-5-ylmethoxy)-3-methyl-5-phenylmethoxy-indol-1-yl]methyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[[2-(1,3-benzodioxol-5-ylmethoxy)-5-benzyloxy-3-methyl-indol-1-yl]methyl]phenoxy]acetic acid CAS Name: 2-[4-[[2-(1,3-benzodioxol-5-ylmethoxy)-3-methyl-5-phenylmethoxy-1-indolyl]methyl]phenoxy]acetic acid IUPAC Name: 2-[4-[[2-(1,3-benzodioxol-5-ylmethoxy)-3-methyl-5-phenylmethoxyindol-1-yl]methyl]phenoxy]acetic acid Traditional Name: 2-[4-[(5-benzoxy-3-methyl-2-piperonyloxy-indol-1-yl)methyl]phenoxy]acetic acid Formula: C33H29NO7 MolecularWeight: 551.58586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)OCC3=CC=CC=C3)CC4=CC=C(C=C4)OCC(=O)O)OCC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)OCC3=CC=CC=C3)CC4=CC=C(C=C4)OCC(=O)O)OCC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C33H29NO7/c1-22-28-16-27(37-18-24-5-3-2-4-6-24)12-13-29(28)34(17-23-7-10-26(11-8-23)38-20-32(35)36)33(22)39-19-25-9-14-30-31(15-25)41-21-40-30/h2-16H,17-21H2,1H3,(H,35,36)