tert-butyl 4-[[2-[phenyl(phenylmethoxycarbonyl)amino]ethanoylamino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-[phenyl(phenylmethoxycarbonyl)amino]ethanoylamino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[[2-(N-benzyloxycarbonylanilino)acetyl]amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[1-oxo-2-(N-phenylmethoxycarbonylanilino)ethyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[[2-(N-phenylmethoxycarbonylanilino)acetyl]amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[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)N1CCC(CC1)CNC(=O)CN(C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CNC(=O)CN(C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

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