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

Systemtic Name: 2-[2-[5-(1,3-benzodioxol-4-ylmethoxy)-2-cyano-phenoxy]-6-chloranyl-phenyl]ethanoic acid Openeye Name: 2-[2-[5-(1,3-benzodioxol-4-ylmethoxy)-2-cyano-phenoxy]-6-chloro-phenyl]acetic acid CAS Name: 2-[2-[5-(1,3-benzodioxol-4-ylmethoxy)-2-cyanophenoxy]-6-chlorophenyl]acetic acid IUPAC Name: 2-[2-[5-(1,3-benzodioxol-4-ylmethoxy)-2-cyanophenoxy]-6-chlorophenyl]acetic acid Traditional Name: 2-[2-[5-(1,3-benzodioxol-4-ylmethoxy)-2-cyano-phenoxy]-6-chloro-phenyl]acetic acid Formula: C23H16ClNO6 MolecularWeight: 437.82924

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC=CC(=C2O1)COC3=CC(=C(C=C3)C#N)OC4=C(C(=CC=C4)Cl)CC(=O)O

Isomeric SMILES

C1OC2=CC=CC(=C2O1)COC3=CC(=C(C=C3)C#N)OC4=C(C(=CC=C4)Cl)CC(=O)O

InChI

InChI=1S/C23H16ClNO6/c24-18-4-2-5-19(17(18)10-22(26)27)31-21-9-16(8-7-14(21)11-25)28-12-15-3-1-6-20-23(15)30-13-29-20/h1-9H,10,12-13H2,(H,26,27)