2-[2-[5-(1,3-benzodioxol-4-ylmethoxy)-2-cyano-3-fluoranyl-phenoxy]-6-methyl-phenyl]ethanoic acid

Systemtic Name: 2-[2-[5-(1,3-benzodioxol-4-ylmethoxy)-2-cyano-3-fluoranyl-phenoxy]-6-methyl-phenyl]ethanoic acid Openeye Name: 2-[2-[5-(1,3-benzodioxol-4-ylmethoxy)-2-cyano-3-fluoro-phenoxy]-6-methyl-phenyl]acetic acid CAS Name: 2-[2-[5-(1,3-benzodioxol-4-ylmethoxy)-2-cyano-3-fluorophenoxy]-6-methylphenyl]acetic acid IUPAC Name: 2-[2-[5-(1,3-benzodioxol-4-ylmethoxy)-2-cyano-3-fluorophenoxy]-6-methylphenyl]acetic acid Traditional Name: 2-[2-[5-(1,3-benzodioxol-4-ylmethoxy)-2-cyano-3-fluoro-phenoxy]-6-methyl-phenyl]acetic acid Formula: C24H18FNO6 MolecularWeight: 435.401223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OC2=C(C(=CC(=C2)OCC3=C4C(=CC=C3)OCO4)F)C#N)CC(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)OC2=C(C(=CC(=C2)OCC3=C4C(=CC=C3)OCO4)F)C#N)CC(=O)O

InChI

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