disodium [2-[(1-hexylcyclobutyl)carbonylamino]-2-phenyl-ethyl] phosphate

Systemtic Name: disodium [2-[(1-hexylcyclobutyl)carbonylamino]-2-phenyl-ethyl] phosphate Openeye Name: disodium [2-[(1-hexylcyclobutanecarbonyl)amino]-2-phenyl-ethyl] phosphate CAS Name: disodium [2-[[(1-hexylcyclobutyl)-oxomethyl]amino]-2-phenylethyl] phosphate IUPAC Name: disodium [2-[(1-hexylcyclobutanecarbonyl)amino]-2-phenylethyl] phosphate Traditional Name: disodium [2-[(1-hexylcyclobutanecarbonyl)amino]-2-phenyl-ethyl] phosphate Formula: C19H28NNa2O5P MolecularWeight: 427.382621

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(CCC1)C(=O)NC(COP(=O)([O-])[O-])C2=CC=CC=C2.[Na+].[Na+]

Isomeric SMILES

CCCCCCC1(CCC1)C(=O)NC(COP(=O)([O-])[O-])C2=CC=CC=C2.[Na+].[Na+]

InChI

InChI=1S/C19H30NO5P.2Na/c1-2-3-4-8-12-19(13-9-14-19)18(21)20-17(15-25-26(22,23)24)16-10-6-5-7-11-16;;/h5-7,10-11,17H,2-4,8-9,12-15H2,1H3,(H,20,21)(H2,22,23,24);;/q;2*+1/p-2