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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)COC3=CC(=C(C=C3)C#N)OC(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)COC3=CC(=C(C=C3)C#N)OC(C4=CC=CC=C4)C(=O)O

InChI

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