2-bromoethyl [3-(heptadecylcarbamoyloxy)-2-(1,2-oxazol-3-yloxy)propyl] phosphate

Systemtic Name: 2-bromoethyl [3-(heptadecylcarbamoyloxy)-2-(1,2-oxazol-3-yloxy)propyl] phosphate Openeye Name: 2-bromoethyl [3-(heptadecylcarbamoyloxy)-2-isoxazol-3-yloxy-propyl] phosphate CAS Name: 2-bromoethyl [3-[(heptadecylamino)-oxomethoxy]-2-(3-isoxazolyloxy)propyl] phosphate IUPAC Name: 2-bromoethyl [3-(heptadecylcarbamoyloxy)-2-(1,2-oxazol-3-yloxy)propyl] phosphate Traditional Name: 2-bromoethyl [3-(heptadecylcarbamoyloxy)-2-isoxazol-3-yloxy-propyl] phosphate Formula: C26H47BrN2O8P- MolecularWeight: 626.537741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCNC(=O)OCC(COP(=O)([O-])OCCBr)OC1=NOC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCNC(=O)OCC(COP(=O)([O-])OCCBr)OC1=NOC=C1

InChI

InChI=1S/C26H48BrN2O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-26(30)33-22-24(37-25-17-20-34-29-25)23-36-38(31,32)35-21-18-27/h17,20,24H,2-16,18-19,21-23H2,1H3,(H,28,30)(H,31,32)/p-1