2-[[2-[3-(1-adamantyl)-4-propan-2-yloxy-phenyl]ethyl-methyl-amino]methyl]-2-azanyl-propane-1,3-diol

Systemtic Name: 2-[[2-[3-(1-adamantyl)-4-propan-2-yloxy-phenyl]ethyl-methyl-amino]methyl]-2-azanyl-propane-1,3-diol Openeye Name: 2-[[2-[3-(1-adamantyl)-4-isopropoxy-phenyl]ethyl-methyl-amino]methyl]-2-amino-propane-1,3-diol CAS Name: 2-[[2-[3-(1-adamantyl)-4-propan-2-yloxyphenyl]ethyl-methylamino]methyl]-2-aminopropane-1,3-diol IUPAC Name: 2-[[2-[3-(1-adamantyl)-4-propan-2-yloxyphenyl]ethyl-methylamino]methyl]-2-aminopropane-1,3-diol Traditional Name: 2-[[2-[3-(1-adamantyl)-4-isopropoxy-phenyl]ethyl-methyl-amino]methyl]-2-amino-propane-1,3-diol Formula: C26H42N2O3 MolecularWeight: 430.62328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)CCN(C)CC(CO)(CO)N)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)CCN(C)CC(CO)(CO)N)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C26H42N2O3/c1-18(2)31-24-5-4-19(6-7-28(3)15-26(27,16-29)17-30)11-23(24)25-12-20-8-21(13-25)10-22(9-20)14-25/h4-5,11,18,20-22,29-30H,6-10,12-17,27H2,1-3H3