tert-butyl (2S)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-4-(phenylmethyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-4-(phenylmethyl)piperazine-1-carboxylate Openeye Name: tert-butyl (2S)-4-benzyl-2-[4-(tert-butoxycarbonylamino)butyl]piperazine-1-carboxylate CAS Name: (2S)-2-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butyl]-4-(phenylmethyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-4-benzyl-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]piperazine-1-carboxylate Traditional Name: (2S)-4-benzyl-2-[4-(tert-butoxycarbonylamino)butyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H41N3O4 MolecularWeight: 447.61074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCC1CN(CCN1C(=O)OC(C)(C)C)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC[C@H]1CN(CCN1C(=O)OC(C)(C)C)CC2=CC=CC=C2

InChI

InChI=1S/C25H41N3O4/c1-24(2,3)31-22(29)26-15-11-10-14-21-19-27(18-20-12-8-7-9-13-20)16-17-28(21)23(30)32-25(4,5)6/h7-9,12-13,21H,10-11,14-19H2,1-6H3,(H,26,29)/t21-/m0/s1