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

Systemtic Name: 3-[3-[3,4-bis(fluoranyl)phenyl]propanoylamino]propanoic acid Openeye Name: 3-[3-(3,4-difluorophenyl)propanoylamino]propanoic acid CAS Name: 3-[[3-(3,4-difluorophenyl)-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-[3-(3,4-difluorophenyl)propanoylamino]propanoic acid Traditional Name: 3-[3-(3,4-difluorophenyl)propanoylamino]propionic acid Formula: C12H13F2NO3 MolecularWeight: 257.233326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13F2NO3/c13-9-3-1-8(7-10(9)14)2-4-11(16)15-6-5-12(17)18/h1,3,7H,2,4-6H2,(H,15,16)(H,17,18)