2-[(3-methylphenyl)-(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]propanoic acid

Systemtic Name: 2-[(3-methylphenyl)-(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]propanoic acid Openeye Name: 2-(N-(2-hydroxy-1-methyl-2-oxo-ethyl)-3-methyl-anilino)propanoic acid CAS Name: 2-(N-(1-hydroxy-1-oxopropan-2-yl)-3-methylanilino)propanoic acid IUPAC Name: 2-(N-(1-hydroxy-1-oxopropan-2-yl)-3-methylanilino)propanoic acid Traditional Name: 2-(N-(2-hydroxy-2-keto-1-methyl-ethyl)-3-methyl-anilino)propionic acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C(C)C(=O)O)C(C)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)N(C(C)C(=O)O)C(C)C(=O)O

InChI

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