bis(2-isocyanoethyl) [2-(octanoylamino)-2-(3-phenylmethoxyphenyl)ethyl] phosphite

Systemtic Name: bis(2-isocyanoethyl) [2-(octanoylamino)-2-(3-phenylmethoxyphenyl)ethyl] phosphite Openeye Name: [2-(3-benzyloxyphenyl)-2-(octanoylamino)ethyl] bis(2-isocyanoethyl) phosphite CAS Name: phosphorous acid bis(2-isocyanoethyl) [2-(1-oxooctylamino)-2-(3-phenylmethoxyphenyl)ethyl] ester IUPAC Name: bis(2-isocyanoethyl) [2-(octanoylamino)-2-(3-phenylmethoxyphenyl)ethyl] phosphite Traditional Name: phosphorous acid [2-(3-benzoxyphenyl)-2-(caprylylamino)ethyl] bis(2-isocyanoethyl) ester Formula: C29H38N3O5P MolecularWeight: 539.602881

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(COP(OCC[N+]#[C-])OCC[N+]#[C-])C1=CC(=CC=C1)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(=O)NC(COP(OCC[N+]#[C-])OCC[N+]#[C-])C1=CC(=CC=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C29H38N3O5P/c1-4-5-6-7-11-17-29(33)32-28(24-37-38(35-20-18-30-2)36-21-19-31-3)26-15-12-16-27(22-26)34-23-25-13-9-8-10-14-25/h8-10,12-16,22,28H,4-7,11,17-21,23-24H2,1H3,(H,32,33)