2-[12-(4-nitrophenoxy)carbonyloxydodecylcarbamoyloxy]piperidine-1-carboxylic acid

Systemtic Name: 2-[12-(4-nitrophenoxy)carbonyloxydodecylcarbamoyloxy]piperidine-1-carboxylic acid Openeye Name: 2-[12-(4-nitrophenoxy)carbonyloxydodecylcarbamoyloxy]piperidine-1-carboxylic acid CAS Name: 2-[[12-[(4-nitrophenoxy)-oxomethoxy]dodecylamino]-oxomethoxy]-1-piperidinecarboxylic acid IUPAC Name: 2-[12-(4-nitrophenoxy)carbonyloxydodecylcarbamoyloxy]piperidine-1-carboxylic acid Traditional Name: 2-[12-(4-nitrophenoxy)carbonyloxydodecylcarbamoyloxy]piperidine-1-carboxylic acid Formula: C26H39N3O9 MolecularWeight: 537.60256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)OC(=O)NCCCCCCCCCCCCOC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CCN(C(C1)OC(=O)NCCCCCCCCCCCCOC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C26H39N3O9/c30-24(38-23-13-9-11-19-28(23)25(31)32)27-18-10-7-5-3-1-2-4-6-8-12-20-36-26(33)37-22-16-14-21(15-17-22)29(34)35/h14-17,23H,1-13,18-20H2,(H,27,30)(H,31,32)