tert-butyl 4-[1-(methylamino)-2-oxidanylidene-3-[phenyl(phenylmethoxycarbonyl)amino]propyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(methylamino)-2-oxidanylidene-3-[phenyl(phenylmethoxycarbonyl)amino]propyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-(N-benzyloxycarbonylanilino)-1-(methylamino)-2-oxo-propyl]piperidine-1-carboxylate CAS Name: 4-[1-(methylamino)-2-oxo-3-(N-phenylmethoxycarbonylanilino)propyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(methylamino)-2-oxo-3-(N-phenylmethoxycarbonylanilino)propyl]piperidine-1-carboxylate Traditional Name: 4-[3-(N-carbobenzoxyanilino)-2-keto-1-(methylamino)propyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H37N3O5 MolecularWeight: 495.61048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37N3O5/c1-28(2,3)36-26(33)30-17-15-22(16-18-30)25(29-4)24(32)19-31(23-13-9-6-10-14-23)27(34)35-20-21-11-7-5-8-12-21/h5-14,22,25,29H,15-20H2,1-4H3