methyl 3-[(3-bromanyl-4,5-dimethoxy-phenyl)methylamino]propanoate

Systemtic Name: methyl 3-[(3-bromanyl-4,5-dimethoxy-phenyl)methylamino]propanoate Openeye Name: methyl 3-[(3-bromo-4,5-dimethoxy-phenyl)methylamino]propanoate CAS Name: 3-[(3-bromo-4,5-dimethoxyphenyl)methylamino]propanoic acid methyl ester IUPAC Name: methyl 3-[(3-bromo-4,5-dimethoxyphenyl)methylamino]propanoate Traditional Name: 3-[(3-bromo-4,5-dimethoxy-benzyl)amino]propionic acid methyl ester Formula: C13H18BrNO4 MolecularWeight: 332.19032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18BrNO4/c1-17-11-7-9(6-10(14)13(11)19-3)8-15-5-4-12(16)18-2/h6-7,15H,4-5,8H2,1-3H3