tert-butyl (2S,3R,6S)-6-[(E)-dodec-2-enyl]-2-(hydroxymethyl)-3-oxidanyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl (2S,3R,6S)-6-[(E)-dodec-2-enyl]-2-(hydroxymethyl)-3-oxidanyl-piperidine-1-carboxylate Openeye Name: tert-butyl (2S,3R,6S)-6-[(E)-dodec-2-enyl]-3-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate CAS Name: (2S,3R,6S)-6-[(E)-dodec-2-enyl]-3-hydroxy-2-(hydroxymethyl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3R,6S)-6-[(E)-dodec-2-enyl]-3-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate Traditional Name: (2S,3R,6S)-6-[(E)-dodec-2-enyl]-3-hydroxy-2-methylol-piperidine-1-carboxylic acid tert-butyl ester Formula: C23H43NO4 MolecularWeight: 397.59182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC=CCC1CCC(C(N1C(=O)OC(C)(C)C)CO)O

Isomeric SMILES

CCCCCCCCC/C=C/C[C@@H]1CC[C@H]([C@@H](N1C(=O)OC(C)(C)C)CO)O

InChI

InChI=1S/C23H43NO4/c1-5-6-7-8-9-10-11-12-13-14-15-19-16-17-21(26)20(18-25)24(19)22(27)28-23(2,3)4/h13-14,19-21,25-26H,5-12,15-18H2,1-4H3/b14-13+/t19-,20+,21-/m1/s1