(1-cyanoindolizin-2-yl)methyl 2-[[4-(trifluoromethyl)phenyl]carbonylamino]ethanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-[[4-(trifluoromethyl)phenyl]carbonylamino]ethanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate CAS Name: 2-[[oxo-[4-(trifluoromethyl)phenyl]methyl]amino]acetic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate Traditional Name: 2-[[4-(trifluoromethyl)benzoyl]amino]acetic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C20H14F3N3O3 MolecularWeight: 401.33867

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=CN2C=C1)COC(=O)CNC(=O)C3=CC=C(C=C3)C(F)(F)F)C#N

Isomeric SMILES

C1=CC2=C(C(=CN2C=C1)COC(=O)CNC(=O)C3=CC=C(C=C3)C(F)(F)F)C#N

InChI

InChI=1S/C20H14F3N3O3/c21-20(22,23)15-6-4-13(5-7-15)19(28)25-10-18(27)29-12-14-11-26-8-2-1-3-17(26)16(14)9-24/h1-8,11H,10,12H2,(H,25,28)