5-[3-azanyl-3-(hydroxymethyl)hexyl]-2-heptoxy-phenol

Systemtic Name: 5-[3-azanyl-3-(hydroxymethyl)hexyl]-2-heptoxy-phenol Openeye Name: 5-[3-amino-3-(hydroxymethyl)hexyl]-2-heptoxy-phenol CAS Name: 5-[3-amino-3-(hydroxymethyl)hexyl]-2-heptoxyphenol IUPAC Name: 5-[3-amino-3-(hydroxymethyl)hexyl]-2-heptoxyphenol Traditional Name: 5-(3-amino-3-methylol-hexyl)-2-heptoxy-phenol Formula: C20H35NO3 MolecularWeight: 337.4968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)CCC(CCC)(CO)N)O

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)CCC(CCC)(CO)N)O

InChI

InChI=1S/C20H35NO3/c1-3-5-6-7-8-14-24-19-10-9-17(15-18(19)23)11-13-20(21,16-22)12-4-2/h9-10,15,22-23H,3-8,11-14,16,21H2,1-2H3