3-(5-acetamido-2-chloranyl-3-methyl-phenyl)propanoic acid

Systemtic Name: 3-(5-acetamido-2-chloranyl-3-methyl-phenyl)propanoic acid Openeye Name: 3-(5-acetamido-2-chloro-3-methyl-phenyl)propanoic acid CAS Name: 3-(5-acetamido-2-chloro-3-methylphenyl)propanoic acid IUPAC Name: 3-(5-acetamido-2-chloro-3-methylphenyl)propanoic acid Traditional Name: 3-(5-acetamido-2-chloro-3-methyl-phenyl)propionic acid Formula: C12H14ClNO3 MolecularWeight: 255.69746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)CCC(=O)O)NC(=O)C

Isomeric SMILES

CC1=CC(=CC(=C1Cl)CCC(=O)O)NC(=O)C

InChI

InChI=1S/C12H14ClNO3/c1-7-5-10(14-8(2)15)6-9(12(7)13)3-4-11(16)17/h5-6H,3-4H2,1-2H3,(H,14,15)(H,16,17)