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

Systemtic Name: tert-butyl (2R,4S)-2-(4-cyclopentylpiperazin-1-yl)carbonyl-4-(4-fluoranylphenoxy)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2R,4S)-2-(4-cyclopentylpiperazine-1-carbonyl)-4-(4-fluorophenoxy)pyrrolidine-1-carboxylate CAS Name: (2R,4S)-2-[(4-cyclopentyl-1-piperazinyl)-oxomethyl]-4-(4-fluorophenoxy)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,4S)-2-(4-cyclopentylpiperazine-1-carbonyl)-4-(4-fluorophenoxy)pyrrolidine-1-carboxylate Traditional Name: (2R,4S)-2-(4-cyclopentylpiperazine-1-carbonyl)-4-(4-fluorophenoxy)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C25H36FN3O4 MolecularWeight: 461.569443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCN(CC2)C3CCCC3)OC4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H](C[C@@H]1C(=O)N2CCN(CC2)C3CCCC3)OC4=CC=C(C=C4)F

InChI

InChI=1S/C25H36FN3O4/c1-25(2,3)33-24(31)29-17-21(32-20-10-8-18(26)9-11-20)16-22(29)23(30)28-14-12-27(13-15-28)19-6-4-5-7-19/h8-11,19,21-22H,4-7,12-17H2,1-3H3/t21-,22+/m0/s1