N-[(1R,2R)-1-oxidanyl-1-(4-phenylmethoxyphenyl)-3-pyrrolidin-1-yl-propan-2-yl]hexadecanamide

Systemtic Name: N-[(1R,2R)-1-oxidanyl-1-(4-phenylmethoxyphenyl)-3-pyrrolidin-1-yl-propan-2-yl]hexadecanamide Openeye Name: N-[(1R,2R)-2-(4-benzyloxyphenyl)-2-hydroxy-1-(pyrrolidin-1-ylmethyl)ethyl]hexadecanamide CAS Name: N-[(1R,2R)-1-hydroxy-1-(4-phenylmethoxyphenyl)-3-(1-pyrrolidinyl)propan-2-yl]hexadecanamide IUPAC Name: N-[(1R,2R)-1-hydroxy-1-(4-phenylmethoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide Traditional Name: N-[(1R,2R)-2-(4-benzoxyphenyl)-2-hydroxy-1-(pyrrolidinomethyl)ethyl]palmitamide Formula: C36H56N2O3 MolecularWeight: 564.84144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(CN1CCCC1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N[C@H](CN1CCCC1)[C@@H](C2=CC=C(C=C2)OCC3=CC=CC=C3)O

InChI

InChI=1S/C36H56N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-35(39)37-34(29-38-27-18-19-28-38)36(40)32-23-25-33(26-24-32)41-30-31-20-15-14-16-21-31/h14-16,20-21,23-26,34,36,40H,2-13,17-19,22,27-30H2,1H3,(H,37,39)/t34-,36-/m1/s1