N-[(1R,2R)-3-(azetidin-1-yl)-1-oxidanyl-1-phenyl-propan-2-yl]hexadecanamide

Systemtic Name: N-[(1R,2R)-3-(azetidin-1-yl)-1-oxidanyl-1-phenyl-propan-2-yl]hexadecanamide Openeye Name: N-[(1R,2R)-1-(azetidin-1-ylmethyl)-2-hydroxy-2-phenyl-ethyl]hexadecanamide CAS Name: N-[(1R,2R)-3-(1-azetidinyl)-1-hydroxy-1-phenylpropan-2-yl]hexadecanamide IUPAC Name: N-[(1R,2R)-3-(azetidin-1-yl)-1-hydroxy-1-phenylpropan-2-yl]hexadecanamide Traditional Name: N-[(1R,2R)-1-(azetidin-1-ylmethyl)-2-hydroxy-2-phenyl-ethyl]palmitamide Formula: C28H48N2O2 MolecularWeight: 444.69292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(CN1CCC1)C(C2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N[C@H](CN1CCC1)[C@@H](C2=CC=CC=C2)O

InChI

InChI=1S/C28H48N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-21-27(31)29-26(24-30-22-18-23-30)28(32)25-19-15-14-16-20-25/h14-16,19-20,26,28,32H,2-13,17-18,21-24H2,1H3,(H,29,31)/t26-,28-/m1/s1