4-(1,3-benzodioxol-4-yl)-4-[2-cyano-5-(pyridin-3-ylmethoxy)phenoxy]butanoic acid

Systemtic Name: 4-(1,3-benzodioxol-4-yl)-4-[2-cyano-5-(pyridin-3-ylmethoxy)phenoxy]butanoic acid Openeye Name: 4-(1,3-benzodioxol-4-yl)-4-[2-cyano-5-(3-pyridylmethoxy)phenoxy]butanoic acid CAS Name: 4-(1,3-benzodioxol-4-yl)-4-[2-cyano-5-(3-pyridinylmethoxy)phenoxy]butanoic acid IUPAC Name: 4-(1,3-benzodioxol-4-yl)-4-[2-cyano-5-(pyridin-3-ylmethoxy)phenoxy]butanoic acid Traditional Name: 4-(1,3-benzodioxol-4-yl)-4-[2-cyano-5-(3-pyridylmethoxy)phenoxy]butyric acid Formula: C24H20N2O6 MolecularWeight: 432.4254

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC=CC(=C2O1)C(CCC(=O)O)OC3=C(C=CC(=C3)OCC4=CN=CC=C4)C#N

Isomeric SMILES

C1OC2=CC=CC(=C2O1)C(CCC(=O)O)OC3=C(C=CC(=C3)OCC4=CN=CC=C4)C#N

InChI

InChI=1S/C24H20N2O6/c25-12-17-6-7-18(29-14-16-3-2-10-26-13-16)11-22(17)32-20(8-9-23(27)28)19-4-1-5-21-24(19)31-15-30-21/h1-7,10-11,13,20H,8-9,14-15H2,(H,27,28)