2-[[7-(1-adamantyl)-6-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-azanyl-propane-1,3-diol

Systemtic Name: 2-[[7-(1-adamantyl)-6-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-azanyl-propane-1,3-diol Openeye Name: 2-[[7-(1-adamantyl)-6-isopropoxy-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-amino-propane-1,3-diol CAS Name: 2-[[7-(1-adamantyl)-6-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-aminopropane-1,3-diol IUPAC Name: 2-[[7-(1-adamantyl)-6-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-aminopropane-1,3-diol Traditional Name: 2-[[7-(1-adamantyl)-6-isopropoxy-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-amino-propane-1,3-diol Formula: C26H40N2O3 MolecularWeight: 428.6074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C2CN(CCC2=C1)CC(CO)(CO)N)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)OC1=C(C=C2CN(CCC2=C1)CC(CO)(CO)N)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H40N2O3/c1-17(2)31-24-9-21-3-4-28(14-26(27,15-29)16-30)13-22(21)8-23(24)25-10-18-5-19(11-25)7-20(6-18)12-25/h8-9,17-20,29-30H,3-7,10-16,27H2,1-2H3