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

Systemtic Name: 2-[2-[5-(1,3-benzodioxol-4-ylmethoxy)-2-cyano-phenoxy]phenyl]ethanoic acid Openeye Name: 2-[2-[5-(1,3-benzodioxol-4-ylmethoxy)-2-cyano-phenoxy]phenyl]acetic acid CAS Name: 2-[2-[5-(1,3-benzodioxol-4-ylmethoxy)-2-cyanophenoxy]phenyl]acetic acid IUPAC Name: 2-[2-[5-(1,3-benzodioxol-4-ylmethoxy)-2-cyanophenoxy]phenyl]acetic acid Traditional Name: 2-[2-[5-(1,3-benzodioxol-4-ylmethoxy)-2-cyano-phenoxy]phenyl]acetic acid Formula: C23H17NO6 MolecularWeight: 403.38418

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC=CC(=C2O1)COC3=CC(=C(C=C3)C#N)OC4=CC=CC=C4CC(=O)O

Isomeric SMILES

C1OC2=CC=CC(=C2O1)COC3=CC(=C(C=C3)C#N)OC4=CC=CC=C4CC(=O)O

InChI

InChI=1S/C23H17NO6/c24-12-16-8-9-18(27-13-17-5-3-7-20-23(17)29-14-28-20)11-21(16)30-19-6-2-1-4-15(19)10-22(25)26/h1-9,11H,10,13-14H2,(H,25,26)