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

Systemtic Name: N-[(1R,2R)-3-(azepan-1-yl)-1-oxidanyl-1-phenyl-propan-2-yl]hexadecanamide Openeye Name: N-[(1R,2R)-1-(azepan-1-ylmethyl)-2-hydroxy-2-phenyl-ethyl]hexadecanamide CAS Name: N-[(1R,2R)-3-(1-azepanyl)-1-hydroxy-1-phenylpropan-2-yl]hexadecanamide IUPAC Name: N-[(1R,2R)-3-(azepan-1-yl)-1-hydroxy-1-phenylpropan-2-yl]hexadecanamide Traditional Name: N-[(1R,2R)-1-(azepan-1-ylmethyl)-2-hydroxy-2-phenyl-ethyl]palmitamide Formula: C31H54N2O2 MolecularWeight: 486.77266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(CN1CCCCCC1)C(C2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N[C@H](CN1CCCCCC1)[C@@H](C2=CC=CC=C2)O

InChI

InChI=1S/C31H54N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-24-30(34)32-29(27-33-25-20-14-15-21-26-33)31(35)28-22-17-16-18-23-28/h16-18,22-23,29,31,35H,2-15,19-21,24-27H2,1H3,(H,32,34)/t29-,31-/m1/s1