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

Systemtic Name: 5-[5-[(3-fluoranyl-4-methyl-phenyl)carbonylamino]-6-oxidanyl-6-oxidanylidene-hexyl]-2-methyl-1,3-dioxane-2-carboxylic acid Openeye Name: 5-[5-[(3-fluoro-4-methyl-benzoyl)amino]-6-hydroxy-6-oxo-hexyl]-2-methyl-1,3-dioxane-2-carboxylic acid CAS Name: 5-[5-[[(3-fluoro-4-methylphenyl)-oxomethyl]amino]-6-hydroxy-6-oxohexyl]-2-methyl-1,3-dioxane-2-carboxylic acid IUPAC Name: 5-[5-[(3-fluoro-4-methylbenzoyl)amino]-6-hydroxy-6-oxohexyl]-2-methyl-1,3-dioxane-2-carboxylic acid Traditional Name: 5-[5-[(3-fluoro-4-methyl-benzoyl)amino]-6-hydroxy-6-keto-hexyl]-2-methyl-1,3-dioxane-2-carboxylic acid Formula: C20H26FNO7 MolecularWeight: 411.421343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(CCCCC2COC(OC2)(C)C(=O)O)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(CCCCC2COC(OC2)(C)C(=O)O)C(=O)O)F

InChI

InChI=1S/C20H26FNO7/c1-12-7-8-14(9-15(12)21)17(23)22-16(18(24)25)6-4-3-5-13-10-28-20(2,19(26)27)29-11-13/h7-9,13,16H,3-6,10-11H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)