2-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylamino]ethanoic acid

Systemtic Name: 2-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylamino]ethanoic acid Openeye Name: 2-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylamino]acetic acid CAS Name: 2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]acetic acid IUPAC Name: 2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]acetic acid Traditional Name: 2-[(3-bromo-4-hydroxy-5-methoxy-benzyl)amino]acetic acid Formula: C10H12BrNO4 MolecularWeight: 290.11058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12BrNO4/c1-16-8-3-6(2-7(11)10(8)15)4-12-5-9(13)14/h2-3,12,15H,4-5H2,1H3,(H,13,14)