4-[3-(3-chloranyl-4-methyl-phenyl)propanoylamino]butanoic acid

Systemtic Name: 4-[3-(3-chloranyl-4-methyl-phenyl)propanoylamino]butanoic acid Openeye Name: 4-[3-(3-chloro-4-methyl-phenyl)propanoylamino]butanoic acid CAS Name: 4-[[3-(3-chloro-4-methylphenyl)-1-oxopropyl]amino]butanoic acid IUPAC Name: 4-[3-(3-chloro-4-methylphenyl)propanoylamino]butanoic acid Traditional Name: 4-[3-(3-chloro-4-methyl-phenyl)propanoylamino]butyric acid Formula: C14H18ClNO3 MolecularWeight: 283.75062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCC(=O)NCCCC(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CCC(=O)NCCCC(=O)O)Cl

InChI

InChI=1S/C14H18ClNO3/c1-10-4-5-11(9-12(10)15)6-7-13(17)16-8-2-3-14(18)19/h4-5,9H,2-3,6-8H2,1H3,(H,16,17)(H,18,19)