[1-(hexylcarbamoylamino)-2-methyl-1-naphthalen-1-yl-propan-2-yl] dihydrogen phosphate

Systemtic Name: [1-(hexylcarbamoylamino)-2-methyl-1-naphthalen-1-yl-propan-2-yl] dihydrogen phosphate Openeye Name: [2-(hexylcarbamoylamino)-1,1-dimethyl-2-(1-naphthyl)ethyl] dihydrogen phosphate CAS Name: [1-[[(hexylamino)-oxomethyl]amino]-2-methyl-1-(1-naphthalenyl)propan-2-yl] dihydrogen phosphate IUPAC Name: [1-(hexylcarbamoylamino)-2-methyl-1-naphthalen-1-ylpropan-2-yl] dihydrogen phosphate Traditional Name: [2-(hexylcarbamoylamino)-1,1-dimethyl-2-(1-naphthyl)ethyl] dihydrogen phosphate Formula: C21H31N2O5P MolecularWeight: 422.455001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)NC(C1=CC=CC2=CC=CC=C21)C(C)(C)OP(=O)(O)O

Isomeric SMILES

CCCCCCNC(=O)NC(C1=CC=CC2=CC=CC=C21)C(C)(C)OP(=O)(O)O

InChI

InChI=1S/C21H31N2O5P/c1-4-5-6-9-15-22-20(24)23-19(21(2,3)28-29(25,26)27)18-14-10-12-16-11-7-8-13-17(16)18/h7-8,10-14,19H,4-6,9,15H2,1-3H3,(H2,22,23,24)(H2,25,26,27)