2-[2-[3-(1-adamantyl)-4-octoxy-phenyl]ethyl]-2-azanyl-propane-1,3-diol

Systemtic Name: 2-[2-[3-(1-adamantyl)-4-octoxy-phenyl]ethyl]-2-azanyl-propane-1,3-diol Openeye Name: 2-[2-[3-(1-adamantyl)-4-octoxy-phenyl]ethyl]-2-amino-propane-1,3-diol CAS Name: 2-[2-[3-(1-adamantyl)-4-octoxyphenyl]ethyl]-2-aminopropane-1,3-diol IUPAC Name: 2-[2-[3-(1-adamantyl)-4-octoxyphenyl]ethyl]-2-aminopropane-1,3-diol Traditional Name: 2-[2-[3-(1-adamantyl)-4-octoxy-phenyl]ethyl]-2-amino-propane-1,3-diol Formula: C29H47NO3 MolecularWeight: 457.68838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)CCC(CO)(CO)N)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)CCC(CO)(CO)N)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C29H47NO3/c1-2-3-4-5-6-7-12-33-27-9-8-22(10-11-29(30,20-31)21-32)16-26(27)28-17-23-13-24(18-28)15-25(14-23)19-28/h8-9,16,23-25,31-32H,2-7,10-15,17-21,30H2,1H3