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

Systemtic Name: methyl 5-[5-[(4-chlorophenyl)carbonylamino]-6-oxidanylidene-heptyl]-2-methyl-1,3-dioxane-2-carboxylate Openeye Name: methyl 5-[5-[(4-chlorobenzoyl)amino]-6-oxo-heptyl]-2-methyl-1,3-dioxane-2-carboxylate CAS Name: 5-[5-[[(4-chlorophenyl)-oxomethyl]amino]-6-oxoheptyl]-2-methyl-1,3-dioxane-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[5-[(4-chlorobenzoyl)amino]-6-oxoheptyl]-2-methyl-1,3-dioxane-2-carboxylate Traditional Name: 5-[5-[(4-chlorobenzoyl)amino]-6-keto-heptyl]-2-methyl-1,3-dioxane-2-carboxylic acid methyl ester Formula: C21H28ClNO6 MolecularWeight: 425.90312

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCCCC1COC(OC1)(C)C(=O)OC)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=O)C(CCCCC1COC(OC1)(C)C(=O)OC)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H28ClNO6/c1-14(24)18(23-19(25)16-8-10-17(22)11-9-16)7-5-4-6-15-12-28-21(2,29-13-15)20(26)27-3/h8-11,15,18H,4-7,12-13H2,1-3H3,(H,23,25)