N-[(E,2S,3R)-16-methyl-1,3-bis(oxidanyl)heptadec-4-en-2-yl]docosanamide

Systemtic Name: N-[(E,2S,3R)-16-methyl-1,3-bis(oxidanyl)heptadec-4-en-2-yl]docosanamide Openeye Name: N-[(E,1S,2R)-2-hydroxy-1-(hydroxymethyl)-15-methyl-hexadec-3-enyl]docosanamide CAS Name: N-[(E,2S,3R)-1,3-dihydroxy-16-methylheptadec-4-en-2-yl]docosanamide IUPAC Name: N-[(E,2S,3R)-1,3-dihydroxy-16-methylheptadec-4-en-2-yl]docosanamide Traditional Name: N-[(E,1S,2R)-2-hydroxy-15-methyl-1-methylol-hexadec-3-enyl]behenamide Formula: C40H79NO3 MolecularWeight: 622.06016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C=CCCCCCCCCCCC(C)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCC(C)C)O

InChI

InChI=1S/C40H79NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26-29-32-35-40(44)41-38(36-42)39(43)34-31-28-25-22-20-19-21-24-27-30-33-37(2)3/h31,34,37-39,42-43H,4-30,32-33,35-36H2,1-3H3,(H,41,44)/b34-31+/t38-,39+/m0/s1