3-[3-(acetamidomethyl)-2,6-bis(fluoranyl)phenyl]propanoic acid

Systemtic Name: 3-[3-(acetamidomethyl)-2,6-bis(fluoranyl)phenyl]propanoic acid Openeye Name: 3-[3-(acetamidomethyl)-2,6-difluoro-phenyl]propanoic acid CAS Name: 3-[3-(acetamidomethyl)-2,6-difluorophenyl]propanoic acid IUPAC Name: 3-[3-(acetamidomethyl)-2,6-difluorophenyl]propanoic acid Traditional Name: 3-[3-(acetamidomethyl)-2,6-difluoro-phenyl]propionic acid Formula: C12H13F2NO3 MolecularWeight: 257.233326

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=C(C(=C(C=C1)F)CCC(=O)O)F

Isomeric SMILES

CC(=O)NCC1=C(C(=C(C=C1)F)CCC(=O)O)F

InChI

InChI=1S/C12H13F2NO3/c1-7(16)15-6-8-2-4-10(13)9(12(8)14)3-5-11(17)18/h2,4H,3,5-6H2,1H3,(H,15,16)(H,17,18)