3-[(2-methylphenyl)-propanoyl-amino]propanoic acid

Systemtic Name: 3-[(2-methylphenyl)-propanoyl-amino]propanoic acid Openeye Name: 3-(2-methyl-N-propanoyl-anilino)propanoic acid CAS Name: 3-[2-methyl-N-(1-oxopropyl)anilino]propanoic acid IUPAC Name: 3-(2-methyl-N-propanoylanilino)propanoic acid Traditional Name: 3-(2-methyl-N-propionyl-anilino)propionic acid Formula: C13H17NO3 MolecularWeight: 235.27898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CCC(=O)O)C1=CC=CC=C1C

Isomeric SMILES

CCC(=O)N(CCC(=O)O)C1=CC=CC=C1C

InChI

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