(phenylmethyl) 2-[[4-oxidanylidene-2-(trifluoromethyl)-3,1-benzoxazin-7-yl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[[4-oxidanylidene-2-(trifluoromethyl)-3,1-benzoxazin-7-yl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[[4-oxo-2-(trifluoromethyl)-3,1-benzoxazin-7-yl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[oxo-[[4-oxo-2-(trifluoromethyl)-3,1-benzoxazin-7-yl]amino]methyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[4-oxo-2-(trifluoromethyl)-3,1-benzoxazin-7-yl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[4-keto-2-(trifluoromethyl)-3,1-benzoxazin-7-yl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C22H18F3N3O5 MolecularWeight: 461.39063

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)C(=O)OC(=N4)C(F)(F)F

Isomeric SMILES

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)C(=O)OC(=N4)C(F)(F)F

InChI

InChI=1S/C22H18F3N3O5/c23-22(24,25)20-27-16-11-14(8-9-15(16)19(30)33-20)26-18(29)17-7-4-10-28(17)21(31)32-12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,17H,4,7,10,12H2,(H,26,29)