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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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