tert-butyl (2S)-2-[3-(4-phenylpiperazin-1-yl)propylcarbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[3-(4-phenylpiperazin-1-yl)propylcarbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[3-(4-phenylpiperazin-1-yl)propylcarbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[oxo-[3-(4-phenyl-1-piperazinyl)propylamino]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[3-(4-phenylpiperazin-1-yl)propylcarbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[3-(4-phenylpiperazino)propylcarbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C23H36N4O3 MolecularWeight: 416.55694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)NCCCN2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCCN2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C23H36N4O3/c1-23(2,3)30-22(29)27-14-7-11-20(27)21(28)24-12-8-13-25-15-17-26(18-16-25)19-9-5-4-6-10-19/h4-6,9-10,20H,7-8,11-18H2,1-3H3,(H,24,28)/t20-/m0/s1