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

Systemtic Name: 4-[2-(4-chloranyl-2-methyl-phenoxy)propanoylamino]butanoic acid Openeye Name: 4-[2-(4-chloro-2-methyl-phenoxy)propanoylamino]butanoic acid CAS Name: 4-[[2-(4-chloro-2-methylphenoxy)-1-oxopropyl]amino]butanoic acid IUPAC Name: 4-[2-(4-chloro-2-methylphenoxy)propanoylamino]butanoic acid Traditional Name: 4-[2-(4-chloro-2-methyl-phenoxy)propanoylamino]butyric acid Formula: C14H18ClNO4 MolecularWeight: 299.75002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClNO4/c1-9-8-11(15)5-6-12(9)20-10(2)14(19)16-7-3-4-13(17)18/h5-6,8,10H,3-4,7H2,1-2H3,(H,16,19)(H,17,18)