N-[(E)-3-oxidanyl-1-pyrrolidin-1-yl-octadec-4-en-2-yl]hexanamide

Systemtic Name: N-[(E)-3-oxidanyl-1-pyrrolidin-1-yl-octadec-4-en-2-yl]hexanamide Openeye Name: N-[(E)-2-hydroxy-1-(pyrrolidin-1-ylmethyl)heptadec-3-enyl]hexanamide CAS Name: N-[(E)-3-hydroxy-1-(1-pyrrolidinyl)octadec-4-en-2-yl]hexanamide IUPAC Name: N-[(E)-3-hydroxy-1-pyrrolidin-1-yloctadec-4-en-2-yl]hexanamide Traditional Name: N-[(E)-2-hydroxy-1-(pyrrolidinomethyl)heptadec-3-enyl]hexanamide Formula: C28H54N2O2 MolecularWeight: 450.74056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(CN1CCCC1)NC(=O)CCCCC)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C(CN1CCCC1)NC(=O)CCCCC)O

InChI

InChI=1S/C28H54N2O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-21-27(31)26(25-30-23-19-20-24-30)29-28(32)22-17-6-4-2/h18,21,26-27,31H,3-17,19-20,22-25H2,1-2H3,(H,29,32)/b21-18+