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

Systemtic Name: 2-[2-cyano-5-(pyridin-3-ylmethoxy)phenoxy]-4-(2,3-dimethylphenyl)butanoic acid Openeye Name: 2-[2-cyano-5-(3-pyridylmethoxy)phenoxy]-4-(2,3-dimethylphenyl)butanoic acid CAS Name: 2-[2-cyano-5-(3-pyridinylmethoxy)phenoxy]-4-(2,3-dimethylphenyl)butanoic acid IUPAC Name: 2-[2-cyano-5-(pyridin-3-ylmethoxy)phenoxy]-4-(2,3-dimethylphenyl)butanoic acid Traditional Name: 2-[2-cyano-5-(3-pyridylmethoxy)phenoxy]-4-(2,3-dimethylphenyl)butyric acid Formula: C25H24N2O4 MolecularWeight: 416.46906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)CCC(C(=O)O)OC2=C(C=CC(=C2)OCC3=CN=CC=C3)C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)CCC(C(=O)O)OC2=C(C=CC(=C2)OCC3=CN=CC=C3)C#N)C

InChI

InChI=1S/C25H24N2O4/c1-17-5-3-7-20(18(17)2)9-11-23(25(28)29)31-24-13-22(10-8-21(24)14-26)30-16-19-6-4-12-27-15-19/h3-8,10,12-13,15,23H,9,11,16H2,1-2H3,(H,28,29)