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

Systemtic Name: methyl 2-[5-(1,3-benzodioxol-4-ylmethoxy)-2-cyano-phenoxy]-2-(2-methylphenyl)ethanoate Openeye Name: methyl 2-[5-(1,3-benzodioxol-4-ylmethoxy)-2-cyano-phenoxy]-2-(o-tolyl)acetate CAS Name: 2-[5-(1,3-benzodioxol-4-ylmethoxy)-2-cyanophenoxy]-2-(2-methylphenyl)acetic acid methyl ester IUPAC Name: methyl 2-[5-(1,3-benzodioxol-4-ylmethoxy)-2-cyanophenoxy]-2-(2-methylphenyl)acetate Traditional Name: 2-[5-(1,3-benzodioxol-4-ylmethoxy)-2-cyano-phenoxy]-2-(o-tolyl)acetic acid methyl ester Formula: C25H21NO6 MolecularWeight: 431.43734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21NO6/c1-16-6-3-4-8-20(16)24(25(27)28-2)32-22-12-19(11-10-17(22)13-26)29-14-18-7-5-9-21-23(18)31-15-30-21/h3-12,24H,14-15H2,1-2H3