2-azanyl-3-[4-(2-oxidanylidenepropoxy)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-(2-oxidanylidenepropoxy)phenyl]propanoic acid Openeye Name: 3-(4-acetonyloxyphenyl)-2-amino-propanoic acid CAS Name: 2-amino-3-[4-(2-oxopropoxy)phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-(2-oxopropoxy)phenyl]propanoic acid Traditional Name: 3-(4-acetonyloxyphenyl)-2-amino-propionic acid Formula: C12H15NO4 MolecularWeight: 237.2518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC1=CC=C(C=C1)CC(C(=O)O)N

Isomeric SMILES

CC(=O)COC1=CC=C(C=C1)CC(C(=O)O)N

InChI

InChI=1S/C12H15NO4/c1-8(14)7-17-10-4-2-9(3-5-10)6-11(13)12(15)16/h2-5,11H,6-7,13H2,1H3,(H,15,16)