2-cyano-4-(2-methyl-5-oxidanyl-phenyl)-2-[3-(pyridin-3-ylmethoxy)phenoxy]butanoic acid

Systemtic Name: 2-cyano-4-(2-methyl-5-oxidanyl-phenyl)-2-[3-(pyridin-3-ylmethoxy)phenoxy]butanoic acid Openeye Name: 2-cyano-4-(5-hydroxy-2-methyl-phenyl)-2-[3-(3-pyridylmethoxy)phenoxy]butanoic acid CAS Name: 2-cyano-4-(5-hydroxy-2-methylphenyl)-2-[3-(3-pyridinylmethoxy)phenoxy]butanoic acid IUPAC Name: 2-cyano-4-(5-hydroxy-2-methylphenyl)-2-[3-(pyridin-3-ylmethoxy)phenoxy]butanoic acid Traditional Name: 2-cyano-4-(5-hydroxy-2-methyl-phenyl)-2-[3-(3-pyridylmethoxy)phenoxy]butyric acid Formula: C24H22N2O5 MolecularWeight: 418.44188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O5/c1-17-7-8-20(27)12-19(17)9-10-24(16-25,23(28)29)31-22-6-2-5-21(13-22)30-15-18-4-3-11-26-14-18/h2-8,11-14,27H,9-10,15H2,1H3,(H,28,29)