2-(1,3-benzodioxol-5-yl)-2-(4-cyano-2-propyl-phenoxy)propanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-2-(4-cyano-2-propyl-phenoxy)propanoic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-2-(4-cyano-2-propyl-phenoxy)propanoic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-2-(4-cyano-2-propylphenoxy)propanoic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-(4-cyano-2-propylphenoxy)propanoic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-2-(4-cyano-2-propyl-phenoxy)propionic acid Formula: C20H19NO5 MolecularWeight: 353.36856

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C#N)OC(C)(C2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)C#N)OC(C)(C2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C20H19NO5/c1-3-4-14-9-13(11-21)5-7-16(14)26-20(2,19(22)23)15-6-8-17-18(10-15)25-12-24-17/h5-10H,3-4,12H2,1-2H3,(H,22,23)