O2-methyl O1-(phenylmethyl) (2S,5R,6S)-6-(4-acetyloxybutyl)-5-methyl-piperidine-1,2-dicarboxylate

Systemtic Name: O2-methyl O1-(phenylmethyl) (2S,5R,6S)-6-(4-acetyloxybutyl)-5-methyl-piperidine-1,2-dicarboxylate Openeye Name: O1-benzyl O2-methyl (2S,5R,6S)-6-(4-acetoxybutyl)-5-methyl-piperidine-1,2-dicarboxylate CAS Name: (2S,5R,6S)-6-(4-acetyloxybutyl)-5-methylpiperidine-1,2-dicarboxylic acid O2-methyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 2-O-methyl (2S,5R,6S)-6-(4-acetyloxybutyl)-5-methylpiperidine-1,2-dicarboxylate Traditional Name: (2S,5R,6S)-6-(4-acetoxybutyl)-5-methyl-piperidine-1,2-dicarboxylic acid O1-benzyl ester O2-methyl ester Formula: C22H31NO6 MolecularWeight: 405.48464

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(N(C1CCCCOC(=O)C)C(=O)OCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

C[C@@H]1CC[C@H](N([C@H]1CCCCOC(=O)C)C(=O)OCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C22H31NO6/c1-16-12-13-20(21(25)27-3)23(19(16)11-7-8-14-28-17(2)24)22(26)29-15-18-9-5-4-6-10-18/h4-6,9-10,16,19-20H,7-8,11-15H2,1-3H3/t16-,19+,20+/m1/s1