[1-(hexylcarbamoylamino)-2-methyl-1-pyridin-3-yl-propan-2-yl] dihydrogen phosphate

Systemtic Name: [1-(hexylcarbamoylamino)-2-methyl-1-pyridin-3-yl-propan-2-yl] dihydrogen phosphate Openeye Name: [2-(hexylcarbamoylamino)-1,1-dimethyl-2-(3-pyridyl)ethyl] dihydrogen phosphate CAS Name: [1-[[(hexylamino)-oxomethyl]amino]-2-methyl-1-(3-pyridinyl)propan-2-yl] dihydrogen phosphate IUPAC Name: [1-(hexylcarbamoylamino)-2-methyl-1-pyridin-3-ylpropan-2-yl] dihydrogen phosphate Traditional Name: [2-(hexylcarbamoylamino)-1,1-dimethyl-2-(3-pyridyl)ethyl] dihydrogen phosphate Formula: C16H28N3O5P MolecularWeight: 373.384381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)NC(C1=CN=CC=C1)C(C)(C)OP(=O)(O)O

Isomeric SMILES

CCCCCCNC(=O)NC(C1=CN=CC=C1)C(C)(C)OP(=O)(O)O

InChI

InChI=1S/C16H28N3O5P/c1-4-5-6-7-11-18-15(20)19-14(13-9-8-10-17-12-13)16(2,3)24-25(21,22)23/h8-10,12,14H,4-7,11H2,1-3H3,(H2,18,19,20)(H2,21,22,23)