pyrrolidine; 2,2,2-tris(fluoranyl)ethanoyl 2-azanyl-3-(4-cyanophenyl)propanoate

Systemtic Name: pyrrolidine; 2,2,2-tris(fluoranyl)ethanoyl 2-azanyl-3-(4-cyanophenyl)propanoate Openeye Name: pyrrolidine; (2,2,2-trifluoroacetyl) 2-amino-3-(4-cyanophenyl)propanoate CAS Name: 2-amino-3-(4-cyanophenyl)propanoic acid (2,2,2-trifluoro-1-oxoethyl) ester; pyrrolidine IUPAC Name: pyrrolidine; (2,2,2-trifluoroacetyl) 2-amino-3-(4-cyanophenyl)propanoate Traditional Name: 2-amino-3-(4-cyanophenyl)propionic acid (2,2,2-trifluoroacetyl) ester; pyrrolidine Formula: C16H18F3N3O3 MolecularWeight: 357.32763

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC1.C1=CC(=CC=C1CC(C(=O)OC(=O)C(F)(F)F)N)C#N

Isomeric SMILES

C1CCNC1.C1=CC(=CC=C1CC(C(=O)OC(=O)C(F)(F)F)N)C#N

InChI

InChI=1S/C12H9F3N2O3.C4H9N/c13-12(14,15)11(19)20-10(18)9(17)5-7-1-3-8(6-16)4-2-7;1-2-4-5-3-1/h1-4,9H,5,17H2;5H,1-4H2