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

Systemtic Name: 5-[5-[(4-ethylphenyl)carbonylamino]-6-oxidanyl-6-oxidanylidene-hexyl]-2-methyl-1,3-dioxane-2-carboxylic acid Openeye Name: 5-[5-[(4-ethylbenzoyl)amino]-6-hydroxy-6-oxo-hexyl]-2-methyl-1,3-dioxane-2-carboxylic acid CAS Name: 5-[5-[[(4-ethylphenyl)-oxomethyl]amino]-6-hydroxy-6-oxohexyl]-2-methyl-1,3-dioxane-2-carboxylic acid IUPAC Name: 5-[5-[(4-ethylbenzoyl)amino]-6-hydroxy-6-oxohexyl]-2-methyl-1,3-dioxane-2-carboxylic acid Traditional Name: 5-[5-[(4-ethylbenzoyl)amino]-6-hydroxy-6-keto-hexyl]-2-methyl-1,3-dioxane-2-carboxylic acid Formula: C21H29NO7 MolecularWeight: 407.45746

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(CCCCC2COC(OC2)(C)C(=O)O)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(CCCCC2COC(OC2)(C)C(=O)O)C(=O)O

InChI

InChI=1S/C21H29NO7/c1-3-14-8-10-16(11-9-14)18(23)22-17(19(24)25)7-5-4-6-15-12-28-21(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)