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

Systemtic Name: disodium [2-(3-cyclobutyloxyphenyl)-2-(octanoylamino)ethyl] phosphate Openeye Name: disodium [2-[3-(cyclobutoxy)phenyl]-2-(octanoylamino)ethyl] phosphate CAS Name: disodium [2-(3-cyclobutyloxyphenyl)-2-(1-oxooctylamino)ethyl] phosphate IUPAC Name: disodium [2-(3-cyclobutyloxyphenyl)-2-(octanoylamino)ethyl] phosphate Traditional Name: disodium [2-(caprylylamino)-2-[3-(cyclobutoxy)phenyl]ethyl] phosphate Formula: C20H30NNa2O6P MolecularWeight: 457.408601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(COP(=O)([O-])[O-])C1=CC(=CC=C1)OC2CCC2.[Na+].[Na+]

Isomeric SMILES

CCCCCCCC(=O)NC(COP(=O)([O-])[O-])C1=CC(=CC=C1)OC2CCC2.[Na+].[Na+]

InChI

InChI=1S/C20H32NO6P.2Na/c1-2-3-4-5-6-13-20(22)21-19(15-26-28(23,24)25)16-9-7-12-18(14-16)27-17-10-8-11-17;;/h7,9,12,14,17,19H,2-6,8,10-11,13,15H2,1H3,(H,21,22)(H2,23,24,25);;/q;2*+1/p-2