2-[[methyl-[(4-octylphenyl)methyl]amino]methyl]propane-1,3-diol

Systemtic Name: 2-[[methyl-[(4-octylphenyl)methyl]amino]methyl]propane-1,3-diol Openeye Name: 2-[[methyl-[(4-octylphenyl)methyl]amino]methyl]propane-1,3-diol CAS Name: 2-[[methyl-[(4-octylphenyl)methyl]amino]methyl]propane-1,3-diol IUPAC Name: 2-[[methyl-[(4-octylphenyl)methyl]amino]methyl]propane-1,3-diol Traditional Name: 2-[[methyl-(4-octylbenzyl)amino]methyl]propane-1,3-diol Formula: C20H35NO2 MolecularWeight: 321.4974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)CN(C)CC(CO)CO

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)CN(C)CC(CO)CO

InChI

InChI=1S/C20H35NO2/c1-3-4-5-6-7-8-9-18-10-12-19(13-11-18)14-21(2)15-20(16-22)17-23/h10-13,20,22-23H,3-9,14-17H2,1-2H3