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

Systemtic Name: 3-[2-(2-bromanyl-4-methyl-phenoxy)ethanoylamino]propanoic acid Openeye Name: 3-[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]propanoic acid CAS Name: 3-[[2-(2-bromo-4-methylphenoxy)-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]propanoic acid Traditional Name: 3-[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]propionic acid Formula: C12H14BrNO4 MolecularWeight: 316.14786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14BrNO4/c1-8-2-3-10(9(13)6-8)18-7-11(15)14-5-4-12(16)17/h2-3,6H,4-5,7H2,1H3,(H,14,15)(H,16,17)