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

Systemtic Name: disodium [2-(3-methoxycarbonylphenyl)-2-(octanoylamino)ethyl] phosphate Openeye Name: disodium [2-(3-methoxycarbonylphenyl)-2-(octanoylamino)ethyl] phosphate CAS Name: disodium [2-(3-methoxycarbonylphenyl)-2-(1-oxooctylamino)ethyl] phosphate IUPAC Name: disodium [2-(3-methoxycarbonylphenyl)-2-(octanoylamino)ethyl] phosphate Traditional Name: disodium [2-(caprylylamino)-2-(3-carbomethoxyphenyl)ethyl] phosphate Formula: C18H26NNa2O7P MolecularWeight: 445.354841

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28NO7P.2Na/c1-3-4-5-6-7-11-17(20)19-16(13-26-27(22,23)24)14-9-8-10-15(12-14)18(21)25-2;;/h8-10,12,16H,3-7,11,13H2,1-2H3,(H,19,20)(H2,22,23,24);;/q;2*+1/p-2