3-[3-(3-bromanyl-4-methoxy-phenyl)propanoylamino]propanoic acid

Systemtic Name: 3-[3-(3-bromanyl-4-methoxy-phenyl)propanoylamino]propanoic acid Openeye Name: 3-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]propanoic acid CAS Name: 3-[[3-(3-bromo-4-methoxyphenyl)-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-[3-(3-bromo-4-methoxyphenyl)propanoylamino]propanoic acid Traditional Name: 3-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]propionic acid Formula: C13H16BrNO4 MolecularWeight: 330.17444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NCCC(=O)O)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NCCC(=O)O)Br

InChI

InChI=1S/C13H16BrNO4/c1-19-11-4-2-9(8-10(11)14)3-5-12(16)15-7-6-13(17)18/h2,4,8H,3,5-7H2,1H3,(H,15,16)(H,17,18)