tert-butyl (2S,4S)-2-(4-cyclobutylpiperazin-1-yl)carbonyl-4-(4-fluoranylphenoxy)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S,4S)-2-(4-cyclobutylpiperazin-1-yl)carbonyl-4-(4-fluoranylphenoxy)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S,4S)-2-(4-cyclobutylpiperazine-1-carbonyl)-4-(4-fluorophenoxy)pyrrolidine-1-carboxylate CAS Name: (2S,4S)-2-[(4-cyclobutyl-1-piperazinyl)-oxomethyl]-4-(4-fluorophenoxy)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,4S)-2-(4-cyclobutylpiperazine-1-carbonyl)-4-(4-fluorophenoxy)pyrrolidine-1-carboxylate Traditional Name: (2S,4S)-2-(4-cyclobutylpiperazine-1-carbonyl)-4-(4-fluorophenoxy)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C24H34FN3O4 MolecularWeight: 447.542863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCN(CC2)C3CCC3)OC4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N2CCN(CC2)C3CCC3)OC4=CC=C(C=C4)F

InChI

InChI=1S/C24H34FN3O4/c1-24(2,3)32-23(30)28-16-20(31-19-9-7-17(25)8-10-19)15-21(28)22(29)27-13-11-26(12-14-27)18-5-4-6-18/h7-10,18,20-21H,4-6,11-16H2,1-3H3/t20-,21-/m0/s1