2-acetamido-3-(2,6-dimethylphenyl)propanoic acid

Systemtic Name: 2-acetamido-3-(2,6-dimethylphenyl)propanoic acid Openeye Name: 2-acetamido-3-(2,6-dimethylphenyl)propanoic acid CAS Name: 2-acetamido-3-(2,6-dimethylphenyl)propanoic acid IUPAC Name: 2-acetamido-3-(2,6-dimethylphenyl)propanoic acid Traditional Name: 2-acetamido-3-(2,6-dimethylphenyl)propionic acid Formula: C13H17NO3 MolecularWeight: 235.27898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3/c1-8-5-4-6-9(2)11(8)7-12(13(16)17)14-10(3)15/h4-6,12H,7H2,1-3H3,(H,14,15)(H,16,17)