N-[1-(1,3-benzodioxol-5-yl)-1-oxidanyl-3-pyrrolidin-1-yl-propan-2-yl]hexadecanamide

Systemtic Name: N-[1-(1,3-benzodioxol-5-yl)-1-oxidanyl-3-pyrrolidin-1-yl-propan-2-yl]hexadecanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-2-hydroxy-1-(pyrrolidin-1-ylmethyl)ethyl]hexadecanamide CAS Name: N-[1-(1,3-benzodioxol-5-yl)-1-hydroxy-3-(1-pyrrolidinyl)propan-2-yl]hexadecanamide IUPAC Name: N-[1-(1,3-benzodioxol-5-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-2-hydroxy-1-(pyrrolidinomethyl)ethyl]palmitamide Formula: C30H50N2O4 MolecularWeight: 502.729

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(CN1CCCC1)C(C2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC(CN1CCCC1)C(C2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C30H50N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-29(33)31-26(23-32-20-15-16-21-32)30(34)25-18-19-27-28(22-25)36-24-35-27/h18-19,22,26,30,34H,2-17,20-21,23-24H2,1H3,(H,31,33)