sodium 2-[[2-cyano-3-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]phenyl]amino]-2-oxidanylidene-ethanoate

Systemtic Name: sodium 2-[[2-cyano-3-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]phenyl]amino]-2-oxidanylidene-ethanoate Openeye Name: sodium 2-[3-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-2-cyano-anilino]-2-oxo-acetate CAS Name: sodium 2-[3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-2-cyanoanilino]-2-oxoacetate IUPAC Name: sodium 2-[3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-2-cyanoanilino]-2-oxoacetate Traditional Name: sodium 2-[3-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-2-cyano-anilino]-2-keto-acetate Formula: C23H23N2NaO8 MolecularWeight: 478.42709

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(COC2=CC=CC(=C2C#N)NC(=O)C(=O)[O-])O.[Na+]

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(COC2=CC=CC(=C2C#N)NC(=O)C(=O)[O-])O.[Na+]

InChI

InChI=1S/C23H24N2O8.Na/c1-3-5-16-20(9-8-15(13(2)26)21(16)28)33-12-14(27)11-32-19-7-4-6-18(17(19)10-24)25-22(29)23(30)31;/h4,6-9,14,27-28H,3,5,11-12H2,1-2H3,(H,25,29)(H,30,31);/q;+1/p-1