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

Systemtic Name: 3-[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]butanoic acid Openeye Name: 3-[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]butanoic acid CAS Name: 3-[[2-(4-chloro-3-methylphenoxy)-1-oxoethyl]amino]butanoic acid IUPAC Name: 3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]butanoic acid Traditional Name: 3-[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]butyric acid Formula: C13H16ClNO4 MolecularWeight: 285.72344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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