2-methyl-5-[6-[(4-methylphenyl)carbonylamino]-7-oxidanyl-7-oxidanylidene-heptyl]-1,3-dioxane-2-carboxylic acid

Systemtic Name: 2-methyl-5-[6-[(4-methylphenyl)carbonylamino]-7-oxidanyl-7-oxidanylidene-heptyl]-1,3-dioxane-2-carboxylic acid Openeye Name: 5-[7-hydroxy-6-[(4-methylbenzoyl)amino]-7-oxo-heptyl]-2-methyl-1,3-dioxane-2-carboxylic acid CAS Name: 5-[7-hydroxy-6-[[(4-methylphenyl)-oxomethyl]amino]-7-oxoheptyl]-2-methyl-1,3-dioxane-2-carboxylic acid IUPAC Name: 5-[7-hydroxy-6-[(4-methylbenzoyl)amino]-7-oxoheptyl]-2-methyl-1,3-dioxane-2-carboxylic acid Traditional Name: 5-[7-hydroxy-7-keto-6-(p-toluoylamino)heptyl]-2-methyl-1,3-dioxane-2-carboxylic acid Formula: C21H29NO7 MolecularWeight: 407.45746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO7/c1-14-8-10-16(11-9-14)18(23)22-17(19(24)25)7-5-3-4-6-15-12-28-21(2,20(26)27)29-13-15/h8-11,15,17H,3-7,12-13H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)