5-(1-azanyl-2-phenyl-ethyl)-1,3-oxazole-4-carboxylate; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 5-(1-azanyl-2-phenyl-ethyl)-1,3-oxazole-4-carboxylate; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 5-(1-amino-2-phenyl-ethyl)oxazole-4-carboxylate; 2,2,2-trifluoroacetate CAS Name: 5-(1-amino-2-phenylethyl)-4-oxazolecarboxylate; 2,2,2-trifluoroacetate IUPAC Name: 5-(1-amino-2-phenylethyl)-1,3-oxazole-4-carboxylate; 2,2,2-trifluoroacetate Traditional Name: 5-(1-amino-2-phenyl-ethyl)oxazole-4-carboxylate; 2,2,2-trifluoroacetate Formula: C14H11F3N2O5-2 MolecularWeight: 344.24275

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2=C(N=CO2)C(=O)[O-])N.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(C2=C(N=CO2)C(=O)[O-])N.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C12H12N2O3.C2HF3O2/c13-9(6-8-4-2-1-3-5-8)11-10(12(15)16)14-7-17-11;3-2(4,5)1(6)7/h1-5,7,9H,6,13H2,(H,15,16);(H,6,7)/p-2