N-[2-oxidanyl-3-(pyrrolidin-1-ylmethyl)-1,4-dioxan-2-yl]-16-phenyl-hexadecanamide

Systemtic Name: N-[2-oxidanyl-3-(pyrrolidin-1-ylmethyl)-1,4-dioxan-2-yl]-16-phenyl-hexadecanamide Openeye Name: N-[2-hydroxy-3-(pyrrolidin-1-ylmethyl)-1,4-dioxan-2-yl]-16-phenyl-hexadecanamide CAS Name: N-[2-hydroxy-3-(1-pyrrolidinylmethyl)-1,4-dioxan-2-yl]-16-phenylhexadecanamide IUPAC Name: N-[2-hydroxy-3-(pyrrolidin-1-ylmethyl)-1,4-dioxan-2-yl]-16-phenylhexadecanamide Traditional Name: N-[2-hydroxy-3-(pyrrolidinomethyl)-1,4-dioxan-2-yl]-16-phenyl-palmitamide Formula: C31H52N2O4 MolecularWeight: 516.75558

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2C(OCCO2)(NC(=O)CCCCCCCCCCCCCCCC3=CC=CC=C3)O

Isomeric SMILES

C1CCN(C1)CC2C(OCCO2)(NC(=O)CCCCCCCCCCCCCCCC3=CC=CC=C3)O

InChI

InChI=1S/C31H52N2O4/c34-30(32-31(35)29(36-25-26-37-31)27-33-23-17-18-24-33)22-16-11-9-7-5-3-1-2-4-6-8-10-13-19-28-20-14-12-15-21-28/h12,14-15,20-21,29,35H,1-11,13,16-19,22-27H2,(H,32,34)