3-[2-(4-chloranyl-2-methyl-phenoxy)propanoylamino]propanoic acid

Systemtic Name: 3-[2-(4-chloranyl-2-methyl-phenoxy)propanoylamino]propanoic acid Openeye Name: 3-[2-(4-chloro-2-methyl-phenoxy)propanoylamino]propanoic acid CAS Name: 3-[[2-(4-chloro-2-methylphenoxy)-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-[2-(4-chloro-2-methylphenoxy)propanoylamino]propanoic acid Traditional Name: 3-[2-(4-chloro-2-methyl-phenoxy)propanoylamino]propionic acid Formula: C13H16ClNO4 MolecularWeight: 285.72344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NCCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NCCC(=O)O

InChI

InChI=1S/C13H16ClNO4/c1-8-7-10(14)3-4-11(8)19-9(2)13(18)15-6-5-12(16)17/h3-4,7,9H,5-6H2,1-2H3,(H,15,18)(H,16,17)