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

Systemtic Name: 5-[5-[(4-fluorophenyl)carbonylamino]-6-oxidanylidene-heptyl]-2-methyl-1,3-dioxane-2-carboxylic acid Openeye Name: 5-[5-[(4-fluorobenzoyl)amino]-6-oxo-heptyl]-2-methyl-1,3-dioxane-2-carboxylic acid CAS Name: 5-[5-[[(4-fluorophenyl)-oxomethyl]amino]-6-oxoheptyl]-2-methyl-1,3-dioxane-2-carboxylic acid IUPAC Name: 5-[5-[(4-fluorobenzoyl)amino]-6-oxoheptyl]-2-methyl-1,3-dioxane-2-carboxylic acid Traditional Name: 5-[5-[(4-fluorobenzoyl)amino]-6-keto-heptyl]-2-methyl-1,3-dioxane-2-carboxylic acid Formula: C20H26FNO6 MolecularWeight: 395.421943

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCCCC1COC(OC1)(C)C(=O)O)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(=O)C(CCCCC1COC(OC1)(C)C(=O)O)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C20H26FNO6/c1-13(23)17(22-18(24)15-7-9-16(21)10-8-15)6-4-3-5-14-11-27-20(2,19(25)26)28-12-14/h7-10,14,17H,3-6,11-12H2,1-2H3,(H,22,24)(H,25,26)