[3-(hydroxymethyl)-2-[[6-(3-thiophen-3-ylpropoxy)hexylamino]methyl]phenyl]methanol

Systemtic Name: [3-(hydroxymethyl)-2-[[6-(3-thiophen-3-ylpropoxy)hexylamino]methyl]phenyl]methanol Openeye Name: [3-(hydroxymethyl)-2-[[6-[3-(3-thienyl)propoxy]hexylamino]methyl]phenyl]methanol CAS Name: [3-(hydroxymethyl)-2-[[6-[3-(3-thiophenyl)propoxy]hexylamino]methyl]phenyl]methanol IUPAC Name: [3-(hydroxymethyl)-2-[[6-(3-thiophen-3-ylpropoxy)hexylamino]methyl]phenyl]methanol Traditional Name: [3-methylol-2-[[6-[3-(3-thienyl)propoxy]hexylamino]methyl]phenyl]methanol Formula: C22H33NO3S MolecularWeight: 391.56732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)CO)CNCCCCCCOCCCC2=CSC=C2)CO

Isomeric SMILES

C1=CC(=C(C(=C1)CO)CNCCCCCCOCCCC2=CSC=C2)CO

InChI

InChI=1S/C22H33NO3S/c24-16-20-8-5-9-21(17-25)22(20)15-23-11-3-1-2-4-12-26-13-6-7-19-10-14-27-18-19/h5,8-10,14,18,23-25H,1-4,6-7,11-13,15-17H2