2-[5-(1,3-benzodioxol-5-ylmethoxy)-2-cyano-3-fluoranyl-phenoxy]-2-(2-methylphenyl)ethanoic acid

Systemtic Name: 2-[5-(1,3-benzodioxol-5-ylmethoxy)-2-cyano-3-fluoranyl-phenoxy]-2-(2-methylphenyl)ethanoic acid Openeye Name: 2-[5-(1,3-benzodioxol-5-ylmethoxy)-2-cyano-3-fluoro-phenoxy]-2-(o-tolyl)acetic acid CAS Name: 2-[5-(1,3-benzodioxol-5-ylmethoxy)-2-cyano-3-fluorophenoxy]-2-(2-methylphenyl)acetic acid IUPAC Name: 2-[5-(1,3-benzodioxol-5-ylmethoxy)-2-cyano-3-fluorophenoxy]-2-(2-methylphenyl)acetic acid Traditional Name: 2-(2-cyano-3-fluoro-5-piperonyloxy-phenoxy)-2-(o-tolyl)acetic acid Formula: C24H18FNO6 MolecularWeight: 435.401223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C(=O)O)OC2=C(C(=CC(=C2)OCC3=CC4=C(C=C3)OCO4)F)C#N

Isomeric SMILES

CC1=CC=CC=C1C(C(=O)O)OC2=C(C(=CC(=C2)OCC3=CC4=C(C=C3)OCO4)F)C#N

InChI

InChI=1S/C24H18FNO6/c1-14-4-2-3-5-17(14)23(24(27)28)32-21-10-16(9-19(25)18(21)11-26)29-12-15-6-7-20-22(8-15)31-13-30-20/h2-10,23H,12-13H2,1H3,(H,27,28)