tert-butyl (2R,3R,6S)-2-methyl-4-oxidanylidene-6-(4-phenylmethoxybutyl)piperidine-3-carboxylate

Systemtic Name: tert-butyl (2R,3R,6S)-2-methyl-4-oxidanylidene-6-(4-phenylmethoxybutyl)piperidine-3-carboxylate Openeye Name: tert-butyl (2R,3R,6S)-6-(4-benzyloxybutyl)-2-methyl-4-oxo-piperidine-3-carboxylate CAS Name: (2R,3R,6S)-2-methyl-4-oxo-6-(4-phenylmethoxybutyl)-3-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,3R,6S)-2-methyl-4-oxo-6-(4-phenylmethoxybutyl)piperidine-3-carboxylate Traditional Name: (2R,3R,6S)-6-(4-benzoxybutyl)-4-keto-2-methyl-nipecotic acid tert-butyl ester Formula: C22H33NO4 MolecularWeight: 375.50172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)CC(N1)CCCCOCC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H]1[C@H](C(=O)C[C@@H](N1)CCCCOCC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H33NO4/c1-16-20(21(25)27-22(2,3)4)19(24)14-18(23-16)12-8-9-13-26-15-17-10-6-5-7-11-17/h5-7,10-11,16,18,20,23H,8-9,12-15H2,1-4H3/t16-,18+,20-/m1/s1