2-[azanyl-(3-bromanyl-4,5-dimethoxy-phenyl)methyl]butanoic acid

Systemtic Name: 2-[azanyl-(3-bromanyl-4,5-dimethoxy-phenyl)methyl]butanoic acid Openeye Name: 2-[amino-(3-bromo-4,5-dimethoxy-phenyl)methyl]butanoic acid CAS Name: 2-[amino-(3-bromo-4,5-dimethoxyphenyl)methyl]butanoic acid IUPAC Name: 2-[amino-(3-bromo-4,5-dimethoxyphenyl)methyl]butanoic acid Traditional Name: 2-[amino-(3-bromo-4,5-dimethoxy-phenyl)methyl]butyric acid Formula: C13H18BrNO4 MolecularWeight: 332.19032

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC(=C(C(=C1)Br)OC)OC)N)C(=O)O

Isomeric SMILES

CCC(C(C1=CC(=C(C(=C1)Br)OC)OC)N)C(=O)O

InChI

InChI=1S/C13H18BrNO4/c1-4-8(13(16)17)11(15)7-5-9(14)12(19-3)10(6-7)18-2/h5-6,8,11H,4,15H2,1-3H3,(H,16,17)