disodium [2-(3-cyclopentyloxyphenyl)-2-(octanoylamino)ethyl] phosphate

Systemtic Name: disodium [2-(3-cyclopentyloxyphenyl)-2-(octanoylamino)ethyl] phosphate Openeye Name: disodium [2-[3-(cyclopentoxy)phenyl]-2-(octanoylamino)ethyl] phosphate CAS Name: disodium [2-(3-cyclopentyloxyphenyl)-2-(1-oxooctylamino)ethyl] phosphate IUPAC Name: disodium [2-(3-cyclopentyloxyphenyl)-2-(octanoylamino)ethyl] phosphate Traditional Name: disodium [2-(caprylylamino)-2-[3-(cyclopentoxy)phenyl]ethyl] phosphate Formula: C21H32NNa2O6P MolecularWeight: 471.435181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(COP(=O)([O-])[O-])C1=CC(=CC=C1)OC2CCCC2.[Na+].[Na+]

Isomeric SMILES

CCCCCCCC(=O)NC(COP(=O)([O-])[O-])C1=CC(=CC=C1)OC2CCCC2.[Na+].[Na+]

InChI

InChI=1S/C21H34NO6P.2Na/c1-2-3-4-5-6-14-21(23)22-20(16-27-29(24,25)26)17-10-9-13-19(15-17)28-18-11-7-8-12-18;;/h9-10,13,15,18,20H,2-8,11-12,14,16H2,1H3,(H,22,23)(H2,24,25,26);;/q;2*+1/p-2