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

Systemtic Name: 5-[5-[(4-tert-butylphenyl)carbonylamino]-6-oxidanyl-6-oxidanylidene-hexyl]-2-methyl-1,3-dioxane-2-carboxylic acid Openeye Name: 5-[5-[(4-tert-butylbenzoyl)amino]-6-hydroxy-6-oxo-hexyl]-2-methyl-1,3-dioxane-2-carboxylic acid CAS Name: 5-[5-[[(4-tert-butylphenyl)-oxomethyl]amino]-6-hydroxy-6-oxohexyl]-2-methyl-1,3-dioxane-2-carboxylic acid IUPAC Name: 5-[5-[(4-tert-butylbenzoyl)amino]-6-hydroxy-6-oxohexyl]-2-methyl-1,3-dioxane-2-carboxylic acid Traditional Name: 5-[5-[(4-tert-butylbenzoyl)amino]-6-hydroxy-6-keto-hexyl]-2-methyl-1,3-dioxane-2-carboxylic acid Formula: C23H33NO7 MolecularWeight: 435.51062

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)CCCCC(C(=O)O)NC(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1(OCC(CO1)CCCCC(C(=O)O)NC(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)O

InChI

InChI=1S/C23H33NO7/c1-22(2,3)17-11-9-16(10-12-17)19(25)24-18(20(26)27)8-6-5-7-15-13-30-23(4,21(28)29)31-14-15/h9-12,15,18H,5-8,13-14H2,1-4H3,(H,24,25)(H,26,27)(H,28,29)