3-phenylmethoxy-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoic acid

Systemtic Name: 3-phenylmethoxy-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoic acid Openeye Name: 3-benzyloxy-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid CAS Name: 3-phenylmethoxy-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propanoic acid IUPAC Name: 3-phenylmethoxy-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid Traditional Name: 3-benzoxy-2-[(2,2,2-trifluoroacetyl)amino]propionic acid Formula: C12H12F3NO4 MolecularWeight: 291.22319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12F3NO4/c13-12(14,15)11(19)16-9(10(17)18)7-20-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,16,19)(H,17,18)