2-[6,7-diethoxy-2-(2-oxidanylbutyl)-3,4-dihydro-1H-isoquinolin-1-yl]propane-1,3-diol

Systemtic Name: 2-[6,7-diethoxy-2-(2-oxidanylbutyl)-3,4-dihydro-1H-isoquinolin-1-yl]propane-1,3-diol Openeye Name: 2-[6,7-diethoxy-2-(2-hydroxybutyl)-3,4-dihydro-1H-isoquinolin-1-yl]propane-1,3-diol CAS Name: 2-[6,7-diethoxy-2-(2-hydroxybutyl)-3,4-dihydro-1H-isoquinolin-1-yl]propane-1,3-diol IUPAC Name: 2-[6,7-diethoxy-2-(2-hydroxybutyl)-3,4-dihydro-1H-isoquinolin-1-yl]propane-1,3-diol Traditional Name: 2-[6,7-diethoxy-2-(2-hydroxybutyl)-3,4-dihydro-1H-isoquinolin-1-yl]propane-1,3-diol Formula: C20H33NO5 MolecularWeight: 367.47972

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1CCC2=CC(=C(C=C2C1C(CO)CO)OCC)OCC)O

Isomeric SMILES

CCC(CN1CCC2=CC(=C(C=C2C1C(CO)CO)OCC)OCC)O

InChI

InChI=1S/C20H33NO5/c1-4-16(24)11-21-8-7-14-9-18(25-5-2)19(26-6-3)10-17(14)20(21)15(12-22)13-23/h9-10,15-16,20,22-24H,4-8,11-13H2,1-3H3