1-[7-methoxy-6-(oxiran-2-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one

Systemtic Name: 1-[7-methoxy-6-(oxiran-2-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one Openeye Name: 1-[7-methoxy-6-(oxiran-2-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one CAS Name: 1-[7-methoxy-6-(2-oxiranylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-1-propanone IUPAC Name: 1-[7-methoxy-6-(oxiran-2-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one Traditional Name: 1-(6-glycidoxy-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C16H21NO4 MolecularWeight: 291.34224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=CC(=C(C=C2C1)OC)OCC3CO3

Isomeric SMILES

CCC(=O)N1CCC2=CC(=C(C=C2C1)OC)OCC3CO3

InChI

InChI=1S/C16H21NO4/c1-3-16(18)17-5-4-11-6-15(21-10-13-9-20-13)14(19-2)7-12(11)8-17/h6-7,13H,3-5,8-10H2,1-2H3