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

Systemtic Name: methyl 5-[5-[(3-fluoranyl-4-methyl-phenyl)carbonylamino]-6-oxidanylidene-heptyl]-2-methyl-1,3-dioxane-2-carboxylate Openeye Name: methyl 5-[5-[(3-fluoro-4-methyl-benzoyl)amino]-6-oxo-heptyl]-2-methyl-1,3-dioxane-2-carboxylate CAS Name: 5-[5-[[(3-fluoro-4-methylphenyl)-oxomethyl]amino]-6-oxoheptyl]-2-methyl-1,3-dioxane-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[5-[(3-fluoro-4-methylbenzoyl)amino]-6-oxoheptyl]-2-methyl-1,3-dioxane-2-carboxylate Traditional Name: 5-[5-[(3-fluoro-4-methyl-benzoyl)amino]-6-keto-heptyl]-2-methyl-1,3-dioxane-2-carboxylic acid methyl ester Formula: C22H30FNO6 MolecularWeight: 423.475103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30FNO6/c1-14-9-10-17(11-18(14)23)20(26)24-19(15(2)25)8-6-5-7-16-12-29-22(3,30-13-16)21(27)28-4/h9-11,16,19H,5-8,12-13H2,1-4H3,(H,24,26)