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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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