1-[3-(hydroxymethyl)-4-phenylmethoxy-phenyl]-2-[6-[[2-[3-(hydroxymethyl)-4-phenylmethoxy-phenyl]-2-oxidanyl-ethyl]-(phenylmethyl)amino]hexyl-(phenylmethyl)amino]ethanol

Systemtic Name: 1-[3-(hydroxymethyl)-4-phenylmethoxy-phenyl]-2-[6-[[2-[3-(hydroxymethyl)-4-phenylmethoxy-phenyl]-2-oxidanyl-ethyl]-(phenylmethyl)amino]hexyl-(phenylmethyl)amino]ethanol Openeye Name: 2-[benzyl-[6-[benzyl-[2-[4-benzyloxy-3-(hydroxymethyl)phenyl]-2-hydroxy-ethyl]amino]hexyl]amino]-1-[4-benzyloxy-3-(hydroxymethyl)phenyl]ethanol CAS Name: 2-[6-[[2-hydroxy-2-[3-(hydroxymethyl)-4-phenylmethoxyphenyl]ethyl]-(phenylmethyl)amino]hexyl-(phenylmethyl)amino]-1-[3-(hydroxymethyl)-4-phenylmethoxyphenyl]ethanol IUPAC Name: 2-[benzyl-[6-[benzyl-[2-hydroxy-2-[3-(hydroxymethyl)-4-phenylmethoxyphenyl]ethyl]amino]hexyl]amino]-1-[3-(hydroxymethyl)-4-phenylmethoxyphenyl]ethanol Traditional Name: 1-(4-benzoxy-3-methylol-phenyl)-2-[6-[[2-(4-benzoxy-3-methylol-phenyl)-2-hydroxy-ethyl]-benzyl-amino]hexyl-benzyl-amino]ethanol Formula: C52H60N2O6 MolecularWeight: 809.0426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCCCCCN(CC2=CC=CC=C2)CC(C3=CC(=C(C=C3)OCC4=CC=CC=C4)CO)O)CC(C5=CC(=C(C=C5)OCC6=CC=CC=C6)CO)O

Isomeric SMILES

C1=CC=C(C=C1)CN(CCCCCCN(CC2=CC=CC=C2)CC(C3=CC(=C(C=C3)OCC4=CC=CC=C4)CO)O)CC(C5=CC(=C(C=C5)OCC6=CC=CC=C6)CO)O

InChI

InChI=1S/C52H60N2O6/c55-37-47-31-45(25-27-51(47)59-39-43-21-11-5-12-22-43)49(57)35-53(33-41-17-7-3-8-18-41)29-15-1-2-16-30-54(34-42-19-9-4-10-20-42)36-50(58)46-26-28-52(48(32-46)38-56)60-40-44-23-13-6-14-24-44/h3-14,17-28,31-32,49-50,55-58H,1-2,15-16,29-30,33-40H2