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

Systemtic Name: [2-methyl-1-(octanoylamino)-1-pyridin-3-yl-propan-2-yl] dihydrogen phosphate Openeye Name: [1,1-dimethyl-2-(octanoylamino)-2-(3-pyridyl)ethyl] dihydrogen phosphate CAS Name: [2-methyl-1-(1-oxooctylamino)-1-(3-pyridinyl)propan-2-yl] dihydrogen phosphate IUPAC Name: [2-methyl-1-(octanoylamino)-1-pyridin-3-ylpropan-2-yl] dihydrogen phosphate Traditional Name: [2-(caprylylamino)-1,1-dimethyl-2-(3-pyridyl)ethyl] dihydrogen phosphate Formula: C17H29N2O5P MolecularWeight: 372.396321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N2O5P/c1-4-5-6-7-8-11-15(20)19-16(14-10-9-12-18-13-14)17(2,3)24-25(21,22)23/h9-10,12-13,16H,4-8,11H2,1-3H3,(H,19,20)(H2,21,22,23)