N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxidanyl-3-pyrrolidin-1-yl-propan-2-yl]hexadecanamide

Systemtic Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxidanyl-3-pyrrolidin-1-yl-propan-2-yl]hexadecanamide Openeye Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-1-(pyrrolidin-1-ylmethyl)ethyl]hexadecanamide CAS Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-(1-pyrrolidinyl)propan-2-yl]hexadecanamide IUPAC Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide Traditional Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-1-(pyrrolidinomethyl)ethyl]palmitamide Formula: C31H52N2O4 MolecularWeight: 516.75558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(CN1CCCC1)C(C2=CC3=C(C=C2)OCCO3)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC(CN1CCCC1)C(C2=CC3=C(C=C2)OCCO3)O

InChI

InChI=1S/C31H52N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-30(34)32-27(25-33-20-15-16-21-33)31(35)26-18-19-28-29(24-26)37-23-22-36-28/h18-19,24,27,31,35H,2-17,20-23,25H2,1H3,(H,32,34)