3-[(3,3-dimethyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]benzoic acid

Systemtic Name: 3-[(3,3-dimethyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]benzoic acid Openeye Name: 3-[(5-hydroxy-3,3-dimethyl-5-oxo-pentanoyl)amino]benzoic acid CAS Name: 3-[(5-hydroxy-3,3-dimethyl-1,5-dioxopentyl)amino]benzoic acid IUPAC Name: 3-[(5-hydroxy-3,3-dimethyl-5-oxopentanoyl)amino]benzoic acid Traditional Name: 3-[(5-hydroxy-5-keto-3,3-dimethyl-pentanoyl)amino]benzoic acid Formula: C14H17NO5 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)NC1=CC=CC(=C1)C(=O)O)CC(=O)O

Isomeric SMILES

CC(C)(CC(=O)NC1=CC=CC(=C1)C(=O)O)CC(=O)O

InChI

InChI=1S/C14H17NO5/c1-14(2,8-12(17)18)7-11(16)15-10-5-3-4-9(6-10)13(19)20/h3-6H,7-8H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)