tert-butyl (2S,6S)-2-methyl-4-oxidanylidene-6-(4-phenylmethoxybutyl)piperidine-1-carboxylate

Systemtic Name: tert-butyl (2S,6S)-2-methyl-4-oxidanylidene-6-(4-phenylmethoxybutyl)piperidine-1-carboxylate Openeye Name: tert-butyl (2S,6S)-2-(4-benzyloxybutyl)-6-methyl-4-oxo-piperidine-1-carboxylate CAS Name: (2S,6S)-2-methyl-4-oxo-6-(4-phenylmethoxybutyl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,6S)-2-methyl-4-oxo-6-(4-phenylmethoxybutyl)piperidine-1-carboxylate Traditional Name: (2S,6S)-2-(4-benzoxybutyl)-4-keto-6-methyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C22H33NO4 MolecularWeight: 375.50172

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)CC(N1C(=O)OC(C)(C)C)CCCCOCC2=CC=CC=C2

Isomeric SMILES

C[C@H]1CC(=O)C[C@@H](N1C(=O)OC(C)(C)C)CCCCOCC2=CC=CC=C2

InChI

InChI=1S/C22H33NO4/c1-17-14-20(24)15-19(23(17)21(25)27-22(2,3)4)12-8-9-13-26-16-18-10-6-5-7-11-18/h5-7,10-11,17,19H,8-9,12-16H2,1-4H3/t17-,19-/m0/s1