disodium [2-[3-(2-methylpropoxy)phenyl]-2-(octanoylamino)ethyl] phosphate

Systemtic Name: disodium [2-[3-(2-methylpropoxy)phenyl]-2-(octanoylamino)ethyl] phosphate Openeye Name: disodium [2-(3-isobutoxyphenyl)-2-(octanoylamino)ethyl] phosphate CAS Name: disodium [2-[3-(2-methylpropoxy)phenyl]-2-(1-oxooctylamino)ethyl] phosphate IUPAC Name: disodium [2-[3-(2-methylpropoxy)phenyl]-2-(octanoylamino)ethyl] phosphate Traditional Name: disodium [2-(caprylylamino)-2-(3-isobutoxyphenyl)ethyl] phosphate Formula: C20H32NNa2O6P MolecularWeight: 459.424481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(COP(=O)([O-])[O-])C1=CC(=CC=C1)OCC(C)C.[Na+].[Na+]

Isomeric SMILES

CCCCCCCC(=O)NC(COP(=O)([O-])[O-])C1=CC(=CC=C1)OCC(C)C.[Na+].[Na+]

InChI

InChI=1S/C20H34NO6P.2Na/c1-4-5-6-7-8-12-20(22)21-19(15-27-28(23,24)25)17-10-9-11-18(13-17)26-14-16(2)3;;/h9-11,13,16,19H,4-8,12,14-15H2,1-3H3,(H,21,22)(H2,23,24,25);;/q;2*+1/p-2