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

Systemtic Name: disodium [2-(heptanoylamino)-2-(3-methoxyphenyl)ethyl] phosphate Openeye Name: disodium [2-(heptanoylamino)-2-(3-methoxyphenyl)ethyl] phosphate CAS Name: disodium [2-(3-methoxyphenyl)-2-(1-oxoheptylamino)ethyl] phosphate IUPAC Name: disodium [2-(heptanoylamino)-2-(3-methoxyphenyl)ethyl] phosphate Traditional Name: disodium [2-(enanthylamino)-2-(3-methoxyphenyl)ethyl] phosphate Formula: C16H24NNa2O6P MolecularWeight: 403.318161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26NO6P.2Na/c1-3-4-5-6-10-16(18)17-15(12-23-24(19,20)21)13-8-7-9-14(11-13)22-2;;/h7-9,11,15H,3-6,10,12H2,1-2H3,(H,17,18)(H2,19,20,21);;/q;2*+1/p-2