2-methyl-5-[6-oxidanyl-6-oxidanylidene-5-[[4-(trifluoromethyl)phenyl]carbonylamino]hexyl]-1,3-dioxane-2-carboxylic acid

Systemtic Name: 2-methyl-5-[6-oxidanyl-6-oxidanylidene-5-[[4-(trifluoromethyl)phenyl]carbonylamino]hexyl]-1,3-dioxane-2-carboxylic acid Openeye Name: 5-[6-hydroxy-6-oxo-5-[[4-(trifluoromethyl)benzoyl]amino]hexyl]-2-methyl-1,3-dioxane-2-carboxylic acid CAS Name: 5-[6-hydroxy-6-oxo-5-[[oxo-[4-(trifluoromethyl)phenyl]methyl]amino]hexyl]-2-methyl-1,3-dioxane-2-carboxylic acid IUPAC Name: 5-[6-hydroxy-6-oxo-5-[[4-(trifluoromethyl)benzoyl]amino]hexyl]-2-methyl-1,3-dioxane-2-carboxylic acid Traditional Name: 5-[6-hydroxy-6-keto-5-[[4-(trifluoromethyl)benzoyl]amino]hexyl]-2-methyl-1,3-dioxane-2-carboxylic acid Formula: C20H24F3NO7 MolecularWeight: 447.40227

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)CCCCC(C(=O)O)NC(=O)C2=CC=C(C=C2)C(F)(F)F)C(=O)O

Isomeric SMILES

CC1(OCC(CO1)CCCCC(C(=O)O)NC(=O)C2=CC=C(C=C2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C20H24F3NO7/c1-19(18(28)29)30-10-12(11-31-19)4-2-3-5-15(17(26)27)24-16(25)13-6-8-14(9-7-13)20(21,22)23/h6-9,12,15H,2-5,10-11H2,1H3,(H,24,25)(H,26,27)(H,28,29)