2-[2-(2-bromanyl-4-methyl-phenoxy)ethanoylamino]butanoic acid

Systemtic Name: 2-[2-(2-bromanyl-4-methyl-phenoxy)ethanoylamino]butanoic acid Openeye Name: 2-[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]butanoic acid CAS Name: 2-[[2-(2-bromo-4-methylphenoxy)-1-oxoethyl]amino]butanoic acid IUPAC Name: 2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]butanoic acid Traditional Name: 2-[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]butyric acid Formula: C13H16BrNO4 MolecularWeight: 330.17444

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)COC1=C(C=C(C=C1)C)Br

Isomeric SMILES

CCC(C(=O)O)NC(=O)COC1=C(C=C(C=C1)C)Br

InChI

InChI=1S/C13H16BrNO4/c1-3-10(13(17)18)15-12(16)7-19-11-5-4-8(2)6-9(11)14/h4-6,10H,3,7H2,1-2H3,(H,15,16)(H,17,18)