3-[(4-bromanyl-2,5-dimethoxy-phenyl)methylamino]propanoic acid

Systemtic Name: 3-[(4-bromanyl-2,5-dimethoxy-phenyl)methylamino]propanoic acid Openeye Name: 3-[(4-bromo-2,5-dimethoxy-phenyl)methylamino]propanoic acid CAS Name: 3-[(4-bromo-2,5-dimethoxyphenyl)methylamino]propanoic acid IUPAC Name: 3-[(4-bromo-2,5-dimethoxyphenyl)methylamino]propanoic acid Traditional Name: 3-[(4-bromo-2,5-dimethoxy-benzyl)amino]propionic acid Formula: C12H16BrNO4 MolecularWeight: 318.16374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNCCC(=O)O)OC)Br

Isomeric SMILES

COC1=CC(=C(C=C1CNCCC(=O)O)OC)Br

InChI

InChI=1S/C12H16BrNO4/c1-17-10-6-9(13)11(18-2)5-8(10)7-14-4-3-12(15)16/h5-6,14H,3-4,7H2,1-2H3,(H,15,16)