N-[(E,2S,3R)-1,3-bis(oxidanyl)octadec-4-en-2-yl]-4-tert-butyl-cyclohexane-1-carboxamide

Systemtic Name: N-[(E,2S,3R)-1,3-bis(oxidanyl)octadec-4-en-2-yl]-4-tert-butyl-cyclohexane-1-carboxamide Openeye Name: 4-tert-butyl-N-[(E,1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadec-3-enyl]cyclohexanecarboxamide CAS Name: 4-tert-butyl-N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]-1-cyclohexanecarboxamide IUPAC Name: 4-tert-butyl-N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]cyclohexane-1-carboxamide Traditional Name: 4-tert-butyl-N-[(E,1S,2R)-2-hydroxy-1-methylol-heptadec-3-enyl]cyclohexanecarboxamide Formula: C29H55NO3 MolecularWeight: 465.7519

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(CO)NC(=O)C1CCC(CC1)C(C)(C)C)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)C1CCC(CC1)C(C)(C)C)O

InChI

InChI=1S/C29H55NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(32)26(23-31)30-28(33)24-19-21-25(22-20-24)29(2,3)4/h17-18,24-27,31-32H,5-16,19-23H2,1-4H3,(H,30,33)/b18-17+/t24?,25?,26-,27+/m0/s1