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

Systemtic Name: 4-[(3-bromanyl-2,5-dimethoxy-phenyl)carbonylamino]butanoic acid Openeye Name: 4-[(3-bromo-2,5-dimethoxy-benzoyl)amino]butanoic acid CAS Name: 4-[[(3-bromo-2,5-dimethoxyphenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 4-[(3-bromo-2,5-dimethoxybenzoyl)amino]butanoic acid Traditional Name: 4-[(3-bromo-2,5-dimethoxy-benzoyl)amino]butyric acid Formula: C13H16BrNO5 MolecularWeight: 346.17384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO5/c1-19-8-6-9(12(20-2)10(14)7-8)13(18)15-5-3-4-11(16)17/h6-7H,3-5H2,1-2H3,(H,15,18)(H,16,17)