tert-butyl (2S,4S)-4-(dimethylcarbamoyl)-2-ethyl-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S,4S)-4-(dimethylcarbamoyl)-2-ethyl-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S,4S)-4-(dimethylcarbamoyl)-2-ethyl-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxylate CAS Name: (2S,4S)-4-[dimethylamino(oxo)methyl]-2-ethyl-2-[(4-fluorophenyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,4S)-4-(dimethylcarbamoyl)-2-ethyl-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxylate Traditional Name: (2S,4S)-4-(dimethylcarbamoyl)-2-ethyl-2-(4-fluorobenzyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H31FN2O3 MolecularWeight: 378.480843

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(CN1C(=O)OC(C)(C)C)C(=O)N(C)C)CC2=CC=C(C=C2)F

Isomeric SMILES

CC[C@]1(C[C@@H](CN1C(=O)OC(C)(C)C)C(=O)N(C)C)CC2=CC=C(C=C2)F

InChI

InChI=1S/C21H31FN2O3/c1-7-21(12-15-8-10-17(22)11-9-15)13-16(18(25)23(5)6)14-24(21)19(26)27-20(2,3)4/h8-11,16H,7,12-14H2,1-6H3/t16-,21+/m0/s1