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

Systemtic Name: 2-[(3-bromanyl-4,5-dimethoxy-phenyl)methylamino]ethanoic acid Openeye Name: 2-[(3-bromo-4,5-dimethoxy-phenyl)methylamino]acetic acid CAS Name: 2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]acetic acid IUPAC Name: 2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]acetic acid Traditional Name: 2-[(3-bromo-4,5-dimethoxy-benzyl)amino]acetic acid Formula: C11H14BrNO4 MolecularWeight: 304.13716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14BrNO4/c1-16-9-4-7(5-13-6-10(14)15)3-8(12)11(9)17-2/h3-4,13H,5-6H2,1-2H3,(H,14,15)