[2-(octanoylamino)-2-(3-phenylmethoxyphenyl)ethyl] dihydrogen phosphate

Systemtic Name: [2-(octanoylamino)-2-(3-phenylmethoxyphenyl)ethyl] dihydrogen phosphate Openeye Name: [2-(3-benzyloxyphenyl)-2-(octanoylamino)ethyl] dihydrogen phosphate CAS Name: [2-(1-oxooctylamino)-2-(3-phenylmethoxyphenyl)ethyl] dihydrogen phosphate IUPAC Name: [2-(octanoylamino)-2-(3-phenylmethoxyphenyl)ethyl] dihydrogen phosphate Traditional Name: [2-(3-benzoxyphenyl)-2-(caprylylamino)ethyl] dihydrogen phosphate Formula: C23H32NO6P MolecularWeight: 449.477041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(COP(=O)(O)O)C1=CC(=CC=C1)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(=O)NC(COP(=O)(O)O)C1=CC(=CC=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C23H32NO6P/c1-2-3-4-5-9-15-23(25)24-22(18-30-31(26,27)28)20-13-10-14-21(16-20)29-17-19-11-7-6-8-12-19/h6-8,10-14,16,22H,2-5,9,15,17-18H2,1H3,(H,24,25)(H2,26,27,28)