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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)C1=CC(=C(C(=C1)OC)Br)OC

Isomeric SMILES

CC(CC(=O)O)NC(=O)C1=CC(=C(C(=C1)OC)Br)OC

InChI

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