2-azanyl-3-(4-oxidanyl-3-propanoyl-phenyl)propanoic acid

Systemtic Name: 2-azanyl-3-(4-oxidanyl-3-propanoyl-phenyl)propanoic acid Openeye Name: 2-amino-3-(4-hydroxy-3-propanoyl-phenyl)propanoic acid CAS Name: 2-amino-3-[4-hydroxy-3-(1-oxopropyl)phenyl]propanoic acid IUPAC Name: 2-amino-3-(4-hydroxy-3-propanoylphenyl)propanoic acid Traditional Name: 2-amino-3-(4-hydroxy-3-propionyl-phenyl)propionic acid Formula: C12H15NO4 MolecularWeight: 237.2518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4/c1-2-10(14)8-5-7(3-4-11(8)15)6-9(13)12(16)17/h3-5,9,15H,2,6,13H2,1H3,(H,16,17)