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

Systemtic Name: 5-[5-[(3-fluoranyl-4-methyl-phenyl)carbonylamino]-6-oxidanylidene-heptyl]-2-methyl-1,3-dioxane-2-carboxylic acid Openeye Name: 5-[5-[(3-fluoro-4-methyl-benzoyl)amino]-6-oxo-heptyl]-2-methyl-1,3-dioxane-2-carboxylic acid CAS Name: 5-[5-[[(3-fluoro-4-methylphenyl)-oxomethyl]amino]-6-oxoheptyl]-2-methyl-1,3-dioxane-2-carboxylic acid IUPAC Name: 5-[5-[(3-fluoro-4-methylbenzoyl)amino]-6-oxoheptyl]-2-methyl-1,3-dioxane-2-carboxylic acid Traditional Name: 5-[5-[(3-fluoro-4-methyl-benzoyl)amino]-6-keto-heptyl]-2-methyl-1,3-dioxane-2-carboxylic acid Formula: C21H28FNO6 MolecularWeight: 409.448523

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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)C)F

Isomeric SMILES

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

InChI

InChI=1S/C21H28FNO6/c1-13-8-9-16(10-17(13)22)19(25)23-18(14(2)24)7-5-4-6-15-11-28-21(3,20(26)27)29-12-15/h8-10,15,18H,4-7,11-12H2,1-3H3,(H,23,25)(H,26,27)