[3-(hydroxymethyl)-2-[[7-(2-thiophen-2-ylethoxy)heptan-2-ylamino]methyl]phenyl]methanol

Systemtic Name: [3-(hydroxymethyl)-2-[[7-(2-thiophen-2-ylethoxy)heptan-2-ylamino]methyl]phenyl]methanol Openeye Name: [3-(hydroxymethyl)-2-[[[1-methyl-6-[2-(2-thienyl)ethoxy]hexyl]amino]methyl]phenyl]methanol CAS Name: [3-(hydroxymethyl)-2-[[7-(2-thiophen-2-ylethoxy)heptan-2-ylamino]methyl]phenyl]methanol IUPAC Name: [3-(hydroxymethyl)-2-[[7-(2-thiophen-2-ylethoxy)heptan-2-ylamino]methyl]phenyl]methanol Traditional Name: [3-methylol-2-[[[1-methyl-6-[2-(2-thienyl)ethoxy]hexyl]amino]methyl]phenyl]methanol Formula: C22H33NO3S MolecularWeight: 391.56732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCOCCC1=CC=CS1)NCC2=C(C=CC=C2CO)CO

Isomeric SMILES

CC(CCCCCOCCC1=CC=CS1)NCC2=C(C=CC=C2CO)CO

InChI

InChI=1S/C22H33NO3S/c1-18(23-15-22-19(16-24)8-5-9-20(22)17-25)7-3-2-4-12-26-13-11-21-10-6-14-27-21/h5-6,8-10,14,18,23-25H,2-4,7,11-13,15-17H2,1H3