tert-butyl 2-[[2-[phenyl(phenylmethoxycarbonyl)amino]ethanoylamino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 2-[[2-[phenyl(phenylmethoxycarbonyl)amino]ethanoylamino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 2-[[[2-(N-benzyloxycarbonylanilino)acetyl]amino]methyl]piperidine-1-carboxylate CAS Name: 2-[[[1-oxo-2-(N-phenylmethoxycarbonylanilino)ethyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[[2-(N-phenylmethoxycarbonylanilino)acetyl]amino]methyl]piperidine-1-carboxylate Traditional Name: 2-[[[2-(N-carbobenzoxyanilino)acetyl]amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H35N3O5 MolecularWeight: 481.5839

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCCC1CNC(=O)CN(C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCCC1CNC(=O)CN(C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H35N3O5/c1-27(2,3)35-26(33)29-17-11-10-16-23(29)18-28-24(31)19-30(22-14-8-5-9-15-22)25(32)34-20-21-12-6-4-7-13-21/h4-9,12-15,23H,10-11,16-20H2,1-3H3,(H,28,31)