3-phenyl-2-[3,4,4-tris(fluoranyl)but-3-enoylamino]propanoic acid

Systemtic Name: 3-phenyl-2-[3,4,4-tris(fluoranyl)but-3-enoylamino]propanoic acid Openeye Name: 3-phenyl-2-(3,4,4-trifluorobut-3-enoylamino)propanoic acid CAS Name: 3-phenyl-2-[(3,4,4-trifluoro-1-oxobut-3-enyl)amino]propanoic acid IUPAC Name: 3-phenyl-2-(3,4,4-trifluorobut-3-enoylamino)propanoic acid Traditional Name: 3-phenyl-2-(3,4,4-trifluorobut-3-enoylamino)propionic acid Formula: C13H12F3NO3 MolecularWeight: 287.23449

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CC(=C(F)F)F

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CC(=C(F)F)F

InChI

InChI=1S/C13H12F3NO3/c14-9(12(15)16)7-11(18)17-10(13(19)20)6-8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,17,18)(H,19,20)