[3-[[3-[3-ethyl-1-(methylamino)-3-oxidanyl-heptyl]phenoxy]methyl]phenyl]methanediol

Systemtic Name: [3-[[3-[3-ethyl-1-(methylamino)-3-oxidanyl-heptyl]phenoxy]methyl]phenyl]methanediol Openeye Name: [3-[[3-[3-ethyl-3-hydroxy-1-(methylamino)heptyl]phenoxy]methyl]phenyl]methanediol CAS Name: [3-[[3-[3-ethyl-3-hydroxy-1-(methylamino)heptyl]phenoxy]methyl]phenyl]methanediol IUPAC Name: [3-[[3-[3-ethyl-3-hydroxy-1-(methylamino)heptyl]phenoxy]methyl]phenyl]methanediol Traditional Name: [3-[[3-[3-ethyl-3-hydroxy-1-(methylamino)heptyl]phenoxy]methyl]phenyl]methanediol Formula: C24H35NO4 MolecularWeight: 401.539

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(CC(C1=CC(=CC=C1)OCC2=CC(=CC=C2)C(O)O)NC)O

Isomeric SMILES

CCCCC(CC)(CC(C1=CC(=CC=C1)OCC2=CC(=CC=C2)C(O)O)NC)O

InChI

InChI=1S/C24H35NO4/c1-4-6-13-24(28,5-2)16-22(25-3)19-10-8-12-21(15-19)29-17-18-9-7-11-20(14-18)23(26)27/h7-12,14-15,22-23,25-28H,4-6,13,16-17H2,1-3H3