2-[[3-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]phenyl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[3-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[3-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]anilino]-2-oxo-acetic acid CAS Name: 2-[3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]anilino]-2-oxoacetic acid IUPAC Name: 2-[3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]anilino]-2-oxoacetic acid Traditional Name: 2-[3-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]anilino]-2-keto-acetic acid Formula: C22H25NO8 MolecularWeight: 431.4358

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(COC2=CC=CC(=C2)NC(=O)C(=O)O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(COC2=CC=CC(=C2)NC(=O)C(=O)O)O

InChI

InChI=1S/C22H25NO8/c1-3-5-18-19(9-8-17(13(2)24)20(18)26)31-12-15(25)11-30-16-7-4-6-14(10-16)23-21(27)22(28)29/h4,6-10,15,25-26H,3,5,11-12H2,1-2H3,(H,23,27)(H,28,29)