[2-[3-(hydroxymethyl)phenyl]-2-(octanoylamino)ethyl] dihydrogen phosphate

Systemtic Name: [2-[3-(hydroxymethyl)phenyl]-2-(octanoylamino)ethyl] dihydrogen phosphate Openeye Name: [2-[3-(hydroxymethyl)phenyl]-2-(octanoylamino)ethyl] dihydrogen phosphate CAS Name: [2-[3-(hydroxymethyl)phenyl]-2-(1-oxooctylamino)ethyl] dihydrogen phosphate IUPAC Name: [2-[3-(hydroxymethyl)phenyl]-2-(octanoylamino)ethyl] dihydrogen phosphate Traditional Name: [2-(caprylylamino)-2-(3-methylolphenyl)ethyl] dihydrogen phosphate Formula: C17H28NO6P MolecularWeight: 373.381081

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(COP(=O)(O)O)C1=CC=CC(=C1)CO

Isomeric SMILES

CCCCCCCC(=O)NC(COP(=O)(O)O)C1=CC=CC(=C1)CO

InChI

InChI=1S/C17H28NO6P/c1-2-3-4-5-6-10-17(20)18-16(13-24-25(21,22)23)15-9-7-8-14(11-15)12-19/h7-9,11,16,19H,2-6,10,12-13H2,1H3,(H,18,20)(H2,21,22,23)