3-azanyl-5-(4-octylphenyl)pentane-1,3-diol

Systemtic Name: 3-azanyl-5-(4-octylphenyl)pentane-1,3-diol Openeye Name: 3-amino-5-(4-octylphenyl)pentane-1,3-diol CAS Name: 3-amino-5-(4-octylphenyl)pentane-1,3-diol IUPAC Name: 3-amino-5-(4-octylphenyl)pentane-1,3-diol Traditional Name: 3-amino-5-(4-octylphenyl)pentane-1,3-diol Formula: C19H33NO2 MolecularWeight: 307.47082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)CCC(CCO)(N)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)CCC(CCO)(N)O

InChI

InChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,22)15-16-21/h9-12,21-22H,2-8,13-16,20H2,1H3