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

Systemtic Name: methyl (2S,6R)-6-methyl-4-oxidanylidene-2-(4-phenylmethoxybutyl)piperidine-3-carboxylate Openeye Name: methyl (2S,6R)-2-(4-benzyloxybutyl)-6-methyl-4-oxo-piperidine-3-carboxylate CAS Name: (2S,6R)-6-methyl-4-oxo-2-(4-phenylmethoxybutyl)-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,6R)-6-methyl-4-oxo-2-(4-phenylmethoxybutyl)piperidine-3-carboxylate Traditional Name: (2S,6R)-2-(4-benzoxybutyl)-4-keto-6-methyl-nipecotic acid methyl ester Formula: C19H27NO4 MolecularWeight: 333.42198

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C(C(N1)CCCCOCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO4/c1-14-12-17(21)18(19(22)23-2)16(20-14)10-6-7-11-24-13-15-8-4-3-5-9-15/h3-5,8-9,14,16,18,20H,6-7,10-13H2,1-2H3/t14-,16+,18?/m1/s1