3-[2-(2-bromanyl-4-methyl-phenoxy)ethanoylamino]butanoic acid

Systemtic Name: 3-[2-(2-bromanyl-4-methyl-phenoxy)ethanoylamino]butanoic acid Openeye Name: 3-[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]butanoic acid CAS Name: 3-[[2-(2-bromo-4-methylphenoxy)-1-oxoethyl]amino]butanoic acid IUPAC Name: 3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]butanoic acid Traditional Name: 3-[[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)NC(C)CC(=O)O)Br

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO4/c1-8-3-4-11(10(14)5-8)19-7-12(16)15-9(2)6-13(17)18/h3-5,9H,6-7H2,1-2H3,(H,15,16)(H,17,18)