(phenylmethyl) 2-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[4-chloro-3-(trifluoromethyl)anilino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C20H18ClF3N2O3 MolecularWeight: 426.81673

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C20H18ClF3N2O3/c21-16-9-8-14(11-15(16)20(22,23)24)25-18(27)17-7-4-10-26(17)19(28)29-12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,17H,4,7,10,12H2,(H,25,27)