methyl 5-(6-benzamido-7-oxidanylidene-octyl)-2-methyl-1,3-dioxane-2-carboxylate

Systemtic Name: methyl 5-(6-benzamido-7-oxidanylidene-octyl)-2-methyl-1,3-dioxane-2-carboxylate Openeye Name: methyl 5-(6-benzamido-7-oxo-octyl)-2-methyl-1,3-dioxane-2-carboxylate CAS Name: 5-(6-benzamido-7-oxooctyl)-2-methyl-1,3-dioxane-2-carboxylic acid methyl ester IUPAC Name: methyl 5-(6-benzamido-7-oxooctyl)-2-methyl-1,3-dioxane-2-carboxylate Traditional Name: 5-(6-benzamido-7-keto-octyl)-2-methyl-1,3-dioxane-2-carboxylic acid methyl ester Formula: C22H31NO6 MolecularWeight: 405.48464

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCCCCC1COC(OC1)(C)C(=O)OC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)C(CCCCCC1COC(OC1)(C)C(=O)OC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H31NO6/c1-16(24)19(23-20(25)18-11-7-5-8-12-18)13-9-4-6-10-17-14-28-22(2,29-15-17)21(26)27-3/h5,7-8,11-12,17,19H,4,6,9-10,13-15H2,1-3H3,(H,23,25)