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

Systemtic Name: tert-butyl (2S,4S)-4-cyano-2-ethyl-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S,4S)-4-cyano-2-ethyl-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxylate CAS Name: (2S,4S)-4-cyano-2-ethyl-2-[(4-fluorophenyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,4S)-4-cyano-2-ethyl-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxylate Traditional Name: (2S,4S)-4-cyano-2-ethyl-2-(4-fluorobenzyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C19H25FN2O2 MolecularWeight: 332.412403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25FN2O2/c1-5-19(10-14-6-8-16(20)9-7-14)11-15(12-21)13-22(19)17(23)24-18(2,3)4/h6-9,15H,5,10-11,13H2,1-4H3/t15-,19-/m1/s1