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

Systemtic Name: 2-[[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-(2-oxidanylpropoxy)phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-(2-hydroxypropoxy)anilino]-2-oxo-acetic acid CAS Name: 2-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-(2-hydroxypropoxy)anilino]-2-oxoacetic acid IUPAC Name: 2-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-(2-hydroxypropoxy)anilino]-2-oxoacetic acid Traditional Name: 2-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-(2-hydroxypropoxy)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)OC2=CC=CC(=C2OCC(C)O)NC(=O)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OC2=CC=CC(=C2OCC(C)O)NC(=O)C(=O)O

InChI

InChI=1S/C22H25NO8/c1-4-6-15-17(10-9-14(13(3)25)19(15)26)31-18-8-5-7-16(23-21(27)22(28)29)20(18)30-11-12(2)24/h5,7-10,12,24,26H,4,6,11H2,1-3H3,(H,23,27)(H,28,29)