3-[2-(3-azanyl-4-octyl-phenyl)ethyl]pentane-1,5-diol

Systemtic Name: 3-[2-(3-azanyl-4-octyl-phenyl)ethyl]pentane-1,5-diol Openeye Name: 3-[2-(3-amino-4-octyl-phenyl)ethyl]pentane-1,5-diol CAS Name: 3-[2-(3-amino-4-octylphenyl)ethyl]pentane-1,5-diol IUPAC Name: 3-[2-(3-amino-4-octylphenyl)ethyl]pentane-1,5-diol Traditional Name: 3-[2-(3-amino-4-octyl-phenyl)ethyl]pentane-1,5-diol Formula: C21H37NO2 MolecularWeight: 335.52398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H37NO2/c1-2-3-4-5-6-7-8-20-12-11-19(17-21(20)22)10-9-18(13-15-23)14-16-24/h11-12,17-18,23-24H,2-10,13-16,22H2,1H3