3-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylamino]propanoic acid

Systemtic Name: 3-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylamino]propanoic acid Openeye Name: 3-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylamino]propanoic acid CAS Name: 3-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]propanoic acid IUPAC Name: 3-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]propanoic acid Traditional Name: 3-[(3-bromo-4-hydroxy-5-methoxy-benzyl)amino]propionic acid Formula: C11H14BrNO4 MolecularWeight: 304.13716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNCCC(=O)O)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)CNCCC(=O)O)Br)O

InChI

InChI=1S/C11H14BrNO4/c1-17-9-5-7(4-8(12)11(9)16)6-13-3-2-10(14)15/h4-5,13,16H,2-3,6H2,1H3,(H,14,15)