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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C(=O)O)OC2=C(C=CC(=C2)OCC3=C4C(=CC=C3)OCO4)C#N

Isomeric SMILES

CC1=CC=CC=C1C(C(=O)O)OC2=C(C=CC(=C2)OCC3=C4C(=CC=C3)OCO4)C#N

InChI

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