methyl 3-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylamino]propanoate

Systemtic Name: methyl 3-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylamino]propanoate Openeye Name: methyl 3-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylamino]propanoate CAS Name: 3-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]propanoic acid methyl ester IUPAC Name: methyl 3-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]propanoate Traditional Name: 3-[(3-bromo-4-hydroxy-5-methoxy-benzyl)amino]propionic acid methyl ester Formula: C12H16BrNO4 MolecularWeight: 318.16374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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