2-[2-cyano-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)phenoxy]-2-(2-methylphenyl)ethanoic acid

Systemtic Name: 2-[2-cyano-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)phenoxy]-2-(2-methylphenyl)ethanoic acid Openeye Name: 2-[2-cyano-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)phenoxy]-2-(o-tolyl)acetic acid CAS Name: 2-[2-cyano-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)phenoxy]-2-(2-methylphenyl)acetic acid IUPAC Name: 2-[2-cyano-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)phenoxy]-2-(2-methylphenyl)acetic acid Traditional Name: 2-[2-cyano-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)phenoxy]-2-(o-tolyl)acetic acid Formula: C25H21NO6 MolecularWeight: 431.43734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C(=O)O)OC2=C(C=CC(=C2)OCC3=CC4=C(C=C3)OCCO4)C#N

Isomeric SMILES

CC1=CC=CC=C1C(C(=O)O)OC2=C(C=CC(=C2)OCC3=CC4=C(C=C3)OCCO4)C#N

InChI

InChI=1S/C25H21NO6/c1-16-4-2-3-5-20(16)24(25(27)28)32-22-13-19(8-7-18(22)14-26)31-15-17-6-9-21-23(12-17)30-11-10-29-21/h2-9,12-13,24H,10-11,15H2,1H3,(H,27,28)