disodium [2-(3-methoxyphenyl)-2-(pentanoylamino)ethyl] phosphate

Systemtic Name: disodium [2-(3-methoxyphenyl)-2-(pentanoylamino)ethyl] phosphate Openeye Name: disodium [2-(3-methoxyphenyl)-2-(pentanoylamino)ethyl] phosphate CAS Name: disodium [2-(3-methoxyphenyl)-2-(1-oxopentylamino)ethyl] phosphate IUPAC Name: disodium [2-(3-methoxyphenyl)-2-(pentanoylamino)ethyl] phosphate Traditional Name: disodium [2-(3-methoxyphenyl)-2-(valerylamino)ethyl] phosphate Formula: C14H20NNa2O6P MolecularWeight: 375.265001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22NO6P.2Na/c1-3-4-8-14(16)15-13(10-21-22(17,18)19)11-6-5-7-12(9-11)20-2;;/h5-7,9,13H,3-4,8,10H2,1-2H3,(H,15,16)(H2,17,18,19);;/q;2*+1/p-2