methyl 5-(5-benzamido-6-oxidanylidene-heptyl)-2-methyl-1,3-dioxane-2-carboxylate

Systemtic Name: methyl 5-(5-benzamido-6-oxidanylidene-heptyl)-2-methyl-1,3-dioxane-2-carboxylate Openeye Name: methyl 5-(5-benzamido-6-oxo-heptyl)-2-methyl-1,3-dioxane-2-carboxylate CAS Name: 5-(5-benzamido-6-oxoheptyl)-2-methyl-1,3-dioxane-2-carboxylic acid methyl ester IUPAC Name: methyl 5-(5-benzamido-6-oxoheptyl)-2-methyl-1,3-dioxane-2-carboxylate Traditional Name: 5-(5-benzamido-6-keto-heptyl)-2-methyl-1,3-dioxane-2-carboxylic acid methyl ester Formula: C21H29NO6 MolecularWeight: 391.45806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO6/c1-15(23)18(22-19(24)17-10-5-4-6-11-17)12-8-7-9-16-13-27-21(2,28-14-16)20(25)26-3/h4-6,10-11,16,18H,7-9,12-14H2,1-3H3,(H,22,24)