tert-butyl (2S)-2-[methyl-[4-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[methyl-[4-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[methyl-[4-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[N-methyl-4-(trifluoromethyl)anilino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[methyl-[4-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[methyl-[4-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C18H23F3N2O3 MolecularWeight: 372.38203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)N(C)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N(C)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C18H23F3N2O3/c1-17(2,3)26-16(25)23-11-5-6-14(23)15(24)22(4)13-9-7-12(8-10-13)18(19,20)21/h7-10,14H,5-6,11H2,1-4H3/t14-/m0/s1