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

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

CC1=CC(=C(C=C1)OCC(=O)NCCCC(=O)O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)NCCCC(=O)O)Br

InChI

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