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

Systemtic Name: 2-[2-[5-(1,3-benzodioxol-4-ylmethoxy)-2-cyano-phenoxy]-6-methyl-phenyl]ethanoic acid Openeye Name: 2-[2-[5-(1,3-benzodioxol-4-ylmethoxy)-2-cyano-phenoxy]-6-methyl-phenyl]acetic acid CAS Name: 2-[2-[5-(1,3-benzodioxol-4-ylmethoxy)-2-cyanophenoxy]-6-methylphenyl]acetic acid IUPAC Name: 2-[2-[5-(1,3-benzodioxol-4-ylmethoxy)-2-cyanophenoxy]-6-methylphenyl]acetic acid Traditional Name: 2-[2-[5-(1,3-benzodioxol-4-ylmethoxy)-2-cyano-phenoxy]-6-methyl-phenyl]acetic acid Formula: C24H19NO6 MolecularWeight: 417.41076

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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)C#N)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H19NO6/c1-15-4-2-6-20(19(15)11-23(26)27)31-22-10-18(9-8-16(22)12-25)28-13-17-5-3-7-21-24(17)30-14-29-21/h2-10H,11,13-14H2,1H3,(H,26,27)