2-[2-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]phenyl]butanoic acid

Systemtic Name: 2-[2-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]phenyl]butanoic acid Openeye Name: 2-[2-[(2-hydroxy-1-methyl-2-oxo-ethyl)amino]phenyl]butanoic acid CAS Name: 2-[2-[(1-hydroxy-1-oxopropan-2-yl)amino]phenyl]butanoic acid IUPAC Name: 2-[2-[(1-hydroxy-1-oxopropan-2-yl)amino]phenyl]butanoic acid Traditional Name: 2-[2-[(2-hydroxy-2-keto-1-methyl-ethyl)amino]phenyl]butyric acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1NC(C)C(=O)O)C(=O)O

Isomeric SMILES

CCC(C1=CC=CC=C1NC(C)C(=O)O)C(=O)O

InChI

InChI=1S/C13H17NO4/c1-3-9(13(17)18)10-6-4-5-7-11(10)14-8(2)12(15)16/h4-9,14H,3H2,1-2H3,(H,15,16)(H,17,18)