tert-butyl (2R,3S)-1-[(1R)-1-phenylethyl]-2-(4-phenylmethoxybutyl)piperidine-3-carboxylate

Systemtic Name: tert-butyl (2R,3S)-1-[(1R)-1-phenylethyl]-2-(4-phenylmethoxybutyl)piperidine-3-carboxylate Openeye Name: tert-butyl (2R,3S)-2-(4-benzyloxybutyl)-1-[(1R)-1-phenylethyl]piperidine-3-carboxylate CAS Name: (2R,3S)-1-[(1R)-1-phenylethyl]-2-(4-phenylmethoxybutyl)-3-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,3S)-1-[(1R)-1-phenylethyl]-2-(4-phenylmethoxybutyl)piperidine-3-carboxylate Traditional Name: (2R,3S)-2-(4-benzoxybutyl)-1-[(1R)-1-phenylethyl]nipecotic acid tert-butyl ester Formula: C29H41NO3 MolecularWeight: 451.64074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CCCC(C2CCCCOCC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N2CCC[C@@H]([C@H]2CCCCOCC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H41NO3/c1-23(25-16-9-6-10-17-25)30-20-13-18-26(28(31)33-29(2,3)4)27(30)19-11-12-21-32-22-24-14-7-5-8-15-24/h5-10,14-17,23,26-27H,11-13,18-22H2,1-4H3/t23-,26+,27-/m1/s1