1-[4-[3-azanyl-3-(hydroxymethyl)hexyl]phenyl]octan-1-one

Systemtic Name: 1-[4-[3-azanyl-3-(hydroxymethyl)hexyl]phenyl]octan-1-one Openeye Name: 1-[4-[3-amino-3-(hydroxymethyl)hexyl]phenyl]octan-1-one CAS Name: 1-[4-[3-amino-3-(hydroxymethyl)hexyl]phenyl]-1-octanone IUPAC Name: 1-[4-[3-amino-3-(hydroxymethyl)hexyl]phenyl]octan-1-one Traditional Name: 1-[4-(3-amino-3-methylol-hexyl)phenyl]octan-1-one Formula: C21H35NO2 MolecularWeight: 333.5081

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C1=CC=C(C=C1)CCC(CCC)(CO)N

Isomeric SMILES

CCCCCCCC(=O)C1=CC=C(C=C1)CCC(CCC)(CO)N

InChI

InChI=1S/C21H35NO2/c1-3-5-6-7-8-9-20(24)19-12-10-18(11-13-19)14-16-21(22,17-23)15-4-2/h10-13,23H,3-9,14-17,22H2,1-2H3