4-[3-[3,4-bis(fluoranyl)phenyl]propanoylamino]butanoic acid

Systemtic Name: 4-[3-[3,4-bis(fluoranyl)phenyl]propanoylamino]butanoic acid Openeye Name: 4-[3-(3,4-difluorophenyl)propanoylamino]butanoic acid CAS Name: 4-[[3-(3,4-difluorophenyl)-1-oxopropyl]amino]butanoic acid IUPAC Name: 4-[3-(3,4-difluorophenyl)propanoylamino]butanoic acid Traditional Name: 4-[3-(3,4-difluorophenyl)propanoylamino]butyric acid Formula: C13H15F2NO3 MolecularWeight: 271.259906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CCC(=O)NCCCC(=O)O)F)F

Isomeric SMILES

C1=CC(=C(C=C1CCC(=O)NCCCC(=O)O)F)F

InChI

InChI=1S/C13H15F2NO3/c14-10-5-3-9(8-11(10)15)4-6-12(17)16-7-1-2-13(18)19/h3,5,8H,1-2,4,6-7H2,(H,16,17)(H,18,19)