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

Systemtic Name: [1-(octanoylamino)-1-pyridin-3-yl-propan-2-yl] dihydrogen phosphate Openeye Name: [1-methyl-2-(octanoylamino)-2-(3-pyridyl)ethyl] dihydrogen phosphate CAS Name: [1-(1-oxooctylamino)-1-(3-pyridinyl)propan-2-yl] dihydrogen phosphate IUPAC Name: [1-(octanoylamino)-1-pyridin-3-ylpropan-2-yl] dihydrogen phosphate Traditional Name: [2-(caprylylamino)-1-methyl-2-(3-pyridyl)ethyl] dihydrogen phosphate Formula: C16H27N2O5P MolecularWeight: 358.369741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N2O5P/c1-3-4-5-6-7-10-15(19)18-16(13(2)23-24(20,21)22)14-9-8-11-17-12-14/h8-9,11-13,16H,3-7,10H2,1-2H3,(H,18,19)(H2,20,21,22)