bis(2-cyanoethyl) [2-(octanoylamino)-1,2-diphenyl-ethyl] phosphate

Systemtic Name: bis(2-cyanoethyl) [2-(octanoylamino)-1,2-diphenyl-ethyl] phosphate Openeye Name: bis(2-cyanoethyl) [2-(octanoylamino)-1,2-diphenyl-ethyl] phosphate CAS Name: phosphoric acid bis(2-cyanoethyl) [2-(1-oxooctylamino)-1,2-diphenylethyl] ester IUPAC Name: bis(2-cyanoethyl) [2-(octanoylamino)-1,2-diphenylethyl] phosphate Traditional Name: phosphoric acid [2-(caprylylamino)-1,2-diphenyl-ethyl] bis(2-cyanoethyl) ester Formula: C28H36N3O5P MolecularWeight: 525.576301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(C1=CC=CC=C1)C(C2=CC=CC=C2)OP(=O)(OCCC#N)OCCC#N

Isomeric SMILES

CCCCCCCC(=O)NC(C1=CC=CC=C1)C(C2=CC=CC=C2)OP(=O)(OCCC#N)OCCC#N

InChI

InChI=1S/C28H36N3O5P/c1-2-3-4-5-12-19-26(32)31-27(24-15-8-6-9-16-24)28(25-17-10-7-11-18-25)36-37(33,34-22-13-20-29)35-23-14-21-30/h6-11,15-18,27-28H,2-5,12-14,19,22-23H2,1H3,(H,31,32)