N-[(E,3R)-3-oxidanyl-5-phenyl-1-pyrrolidin-1-yl-pent-4-en-2-yl]hexadecanamide

Systemtic Name: N-[(E,3R)-3-oxidanyl-5-phenyl-1-pyrrolidin-1-yl-pent-4-en-2-yl]hexadecanamide Openeye Name: N-[(E,2R)-2-hydroxy-4-phenyl-1-(pyrrolidin-1-ylmethyl)but-3-enyl]hexadecanamide CAS Name: N-[(E,3R)-3-hydroxy-5-phenyl-1-(1-pyrrolidinyl)pent-4-en-2-yl]hexadecanamide IUPAC Name: N-[(E,3R)-3-hydroxy-5-phenyl-1-pyrrolidin-1-ylpent-4-en-2-yl]hexadecanamide Traditional Name: N-[(E,2R)-2-hydroxy-4-phenyl-1-(pyrrolidinomethyl)but-3-enyl]palmitamide Formula: C31H52N2O2 MolecularWeight: 484.75678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(CN1CCCC1)C(C=CC2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC(CN1CCCC1)[C@@H](/C=C/C2=CC=CC=C2)O

InChI

InChI=1S/C31H52N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-31(35)32-29(27-33-25-18-19-26-33)30(34)24-23-28-20-15-14-16-21-28/h14-16,20-21,23-24,29-30,34H,2-13,17-19,22,25-27H2,1H3,(H,32,35)/b24-23+/t29?,30-/m1/s1