2-acetamido-3-(3,5-dimethyl-4-oxidanyl-phenyl)propanoic acid

Systemtic Name: 2-acetamido-3-(3,5-dimethyl-4-oxidanyl-phenyl)propanoic acid Openeye Name: 2-acetamido-3-(4-hydroxy-3,5-dimethyl-phenyl)propanoic acid CAS Name: 2-acetamido-3-(4-hydroxy-3,5-dimethylphenyl)propanoic acid IUPAC Name: 2-acetamido-3-(4-hydroxy-3,5-dimethylphenyl)propanoic acid Traditional Name: 2-acetamido-3-(4-hydroxy-3,5-dimethyl-phenyl)propionic acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CC(C(=O)O)NC(=O)C

Isomeric SMILES

CC1=CC(=CC(=C1O)C)CC(C(=O)O)NC(=O)C

InChI

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