methyl 2-methyl-5-[6-[(4-methylphenyl)carbonylamino]-7-oxidanylidene-octyl]-1,3-dioxane-2-carboxylate

Systemtic Name: methyl 2-methyl-5-[6-[(4-methylphenyl)carbonylamino]-7-oxidanylidene-octyl]-1,3-dioxane-2-carboxylate Openeye Name: methyl 2-methyl-5-[6-[(4-methylbenzoyl)amino]-7-oxo-octyl]-1,3-dioxane-2-carboxylate CAS Name: 2-methyl-5-[6-[[(4-methylphenyl)-oxomethyl]amino]-7-oxooctyl]-1,3-dioxane-2-carboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[6-[(4-methylbenzoyl)amino]-7-oxooctyl]-1,3-dioxane-2-carboxylate Traditional Name: 5-[7-keto-6-(p-toluoylamino)octyl]-2-methyl-1,3-dioxane-2-carboxylic acid methyl ester Formula: C23H33NO6 MolecularWeight: 419.51122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(CCCCCC2COC(OC2)(C)C(=O)OC)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(CCCCCC2COC(OC2)(C)C(=O)OC)C(=O)C

InChI

InChI=1S/C23H33NO6/c1-16-10-12-19(13-11-16)21(26)24-20(17(2)25)9-7-5-6-8-18-14-29-23(3,30-15-18)22(27)28-4/h10-13,18,20H,5-9,14-15H2,1-4H3,(H,24,26)