2-[azanyl-(2-bromanyl-4,5-dimethoxy-phenyl)methyl]butanoate

Systemtic Name: 2-[azanyl-(2-bromanyl-4,5-dimethoxy-phenyl)methyl]butanoate Openeye Name: 2-[amino-(2-bromo-4,5-dimethoxy-phenyl)methyl]butanoate CAS Name: 2-[amino-(2-bromo-4,5-dimethoxyphenyl)methyl]butanoate IUPAC Name: 2-[amino-(2-bromo-4,5-dimethoxyphenyl)methyl]butanoate Traditional Name: 2-[amino-(2-bromo-4,5-dimethoxy-phenyl)methyl]butyrate Formula: C13H17BrNO4- MolecularWeight: 331.18238

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC(=C(C=C1Br)OC)OC)N)C(=O)[O-]

Isomeric SMILES

CCC(C(C1=CC(=C(C=C1Br)OC)OC)N)C(=O)[O-]

InChI

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