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

Systemtic Name: methyl 2-methyl-5-[5-[(4-methylphenyl)carbonylamino]-6-oxidanylidene-heptyl]-1,3-dioxane-2-carboxylate Openeye Name: methyl 2-methyl-5-[5-[(4-methylbenzoyl)amino]-6-oxo-heptyl]-1,3-dioxane-2-carboxylate CAS Name: 2-methyl-5-[5-[[(4-methylphenyl)-oxomethyl]amino]-6-oxoheptyl]-1,3-dioxane-2-carboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[5-[(4-methylbenzoyl)amino]-6-oxoheptyl]-1,3-dioxane-2-carboxylate Traditional Name: 5-[6-keto-5-(p-toluoylamino)heptyl]-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO6/c1-15-9-11-18(12-10-15)20(25)23-19(16(2)24)8-6-5-7-17-13-28-22(3,29-14-17)21(26)27-4/h9-12,17,19H,5-8,13-14H2,1-4H3,(H,23,25)