tert-butyl 4-[[2-(phenylmethoxycarbonylamino)ethanoylamino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-(phenylmethoxycarbonylamino)ethanoylamino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[[2-(benzyloxycarbonylamino)acetyl]amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[[2-(phenylmethoxycarbonylamino)acetyl]amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[2-(benzyloxycarbonylamino)acetyl]amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CNC(=O)CNC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CNC(=O)CNC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H31N3O5/c1-21(2,3)29-20(27)24-11-9-16(10-12-24)13-22-18(25)14-23-19(26)28-15-17-7-5-4-6-8-17/h4-8,16H,9-15H2,1-3H3,(H,22,25)(H,23,26)