(phenylmethyl) (2S,3R,4S,6R)-6-nonyl-3,4-bis(oxidanyl)-2-phenyl-piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S,3R,4S,6R)-6-nonyl-3,4-bis(oxidanyl)-2-phenyl-piperidine-1-carboxylate Openeye Name: benzyl (2S,3R,4S,6R)-3,4-dihydroxy-6-nonyl-2-phenyl-piperidine-1-carboxylate CAS Name: (2S,3R,4S,6R)-3,4-dihydroxy-6-nonyl-2-phenyl-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3R,4S,6R)-3,4-dihydroxy-6-nonyl-2-phenylpiperidine-1-carboxylate Traditional Name: (2S,3R,4S,6R)-3,4-dihydroxy-6-nonyl-2-phenyl-piperidine-1-carboxylic acid benzyl ester Formula: C28H39NO4 MolecularWeight: 453.61356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1CC(C(C(N1C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3)O)O

Isomeric SMILES

CCCCCCCCC[C@@H]1C[C@@H]([C@@H]([C@@H](N1C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3)O)O

InChI

InChI=1S/C28H39NO4/c1-2-3-4-5-6-7-14-19-24-20-25(30)27(31)26(23-17-12-9-13-18-23)29(24)28(32)33-21-22-15-10-8-11-16-22/h8-13,15-18,24-27,30-31H,2-7,14,19-21H2,1H3/t24-,25+,26+,27+/m1/s1