2-methyl-5-[5-[(4-methylphenyl)carbonylamino]-6-oxidanyl-6-oxidanylidene-hexyl]-1,3-dioxane-2-carboxylic acid

Systemtic Name: 2-methyl-5-[5-[(4-methylphenyl)carbonylamino]-6-oxidanyl-6-oxidanylidene-hexyl]-1,3-dioxane-2-carboxylic acid Openeye Name: 5-[6-hydroxy-5-[(4-methylbenzoyl)amino]-6-oxo-hexyl]-2-methyl-1,3-dioxane-2-carboxylic acid CAS Name: 5-[6-hydroxy-5-[[(4-methylphenyl)-oxomethyl]amino]-6-oxohexyl]-2-methyl-1,3-dioxane-2-carboxylic acid IUPAC Name: 5-[6-hydroxy-5-[(4-methylbenzoyl)amino]-6-oxohexyl]-2-methyl-1,3-dioxane-2-carboxylic acid Traditional Name: 5-[6-hydroxy-6-keto-5-(p-toluoylamino)hexyl]-2-methyl-1,3-dioxane-2-carboxylic acid Formula: C20H27NO7 MolecularWeight: 393.43088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO7/c1-13-7-9-15(10-8-13)17(22)21-16(18(23)24)6-4-3-5-14-11-27-20(2,19(25)26)28-12-14/h7-10,14,16H,3-6,11-12H2,1-2H3,(H,21,22)(H,23,24)(H,25,26)