ethyl (2R,3R)-6-oxidanylidene-2-(4-phenylmethoxybutyl)-1-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: ethyl (2R,3R)-6-oxidanylidene-2-(4-phenylmethoxybutyl)-1-(phenylmethyl)piperidine-3-carboxylate Openeye Name: ethyl (2R,3R)-1-benzyl-2-(4-benzyloxybutyl)-6-oxo-piperidine-3-carboxylate CAS Name: (2R,3R)-6-oxo-2-(4-phenylmethoxybutyl)-1-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R,3R)-1-benzyl-6-oxo-2-(4-phenylmethoxybutyl)piperidine-3-carboxylate Traditional Name: (2R,3R)-2-(4-benzoxybutyl)-1-benzyl-6-keto-nipecotic acid ethyl ester Formula: C26H33NO4 MolecularWeight: 423.54452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(=O)N(C1CCCCOCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@H]1CCC(=O)N([C@@H]1CCCCOCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C26H33NO4/c1-2-31-26(29)23-16-17-25(28)27(19-21-11-5-3-6-12-21)24(23)15-9-10-18-30-20-22-13-7-4-8-14-22/h3-8,11-14,23-24H,2,9-10,15-20H2,1H3/t23-,24-/m1/s1