[2-(octanoylamino)-2-phenyl-ethyl] phenyl hydrogen phosphate

Systemtic Name: [2-(octanoylamino)-2-phenyl-ethyl] phenyl hydrogen phosphate Openeye Name: [2-(octanoylamino)-2-phenyl-ethyl] phenyl hydrogen phosphate CAS Name: [2-(1-oxooctylamino)-2-phenylethyl] phenyl hydrogen phosphate IUPAC Name: [2-(octanoylamino)-2-phenylethyl] phenyl hydrogen phosphate Traditional Name: [2-(caprylylamino)-2-phenyl-ethyl] phenyl hydrogen phosphate Formula: C22H30NO5P MolecularWeight: 419.451061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(COP(=O)(O)OC1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(=O)NC(COP(=O)(O)OC1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C22H30NO5P/c1-2-3-4-5-12-17-22(24)23-21(19-13-8-6-9-14-19)18-27-29(25,26)28-20-15-10-7-11-16-20/h6-11,13-16,21H,2-5,12,17-18H2,1H3,(H,23,24)(H,25,26)