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

Systemtic Name: N-[(E,2S,3R)-1,3-bis(oxidanyl)octadec-4-en-2-yl]adamantane-1-carboxamide Openeye Name: N-[(E,1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadec-3-enyl]adamantane-1-carboxamide CAS Name: N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]adamantane-1-carboxamide Traditional Name: N-[(E,1S,2R)-2-hydroxy-1-methylol-heptadec-3-enyl]adamantane-1-carboxamide Formula: C29H51NO3 MolecularWeight: 461.72014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(CO)NC(=O)C12CC3CC(C1)CC(C3)C2)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)C12CC3CC(C1)CC(C3)C2)O

InChI

InChI=1S/C29H51NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-27(32)26(22-31)30-28(33)29-19-23-16-24(20-29)18-25(17-23)21-29/h14-15,23-27,31-32H,2-13,16-22H2,1H3,(H,30,33)/b15-14+/t23?,24?,25?,26-,27+,29?/m0/s1