4-[(3-bromanyl-4,5-dimethoxy-phenyl)methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3-bromanyl-4,5-dimethoxy-phenyl)methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3-bromo-4,5-dimethoxy-phenyl)methylamino]-4-oxo-butanoic acid CAS Name: 4-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-4-oxobutanoic acid IUPAC Name: 4-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-4-oxobutanoic acid Traditional Name: 4-[(3-bromo-4,5-dimethoxy-benzyl)amino]-4-keto-butyric acid Formula: C13H16BrNO5 MolecularWeight: 346.17384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC(=O)CCC(=O)O)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC(=O)CCC(=O)O)Br)OC

InChI

InChI=1S/C13H16BrNO5/c1-19-10-6-8(5-9(14)13(10)20-2)7-15-11(16)3-4-12(17)18/h5-6H,3-4,7H2,1-2H3,(H,15,16)(H,17,18)