1-[(3,4-diethoxyphenyl)methyl]-6,7-di(propan-2-yloxy)isoquinoline

Systemtic Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-di(propan-2-yloxy)isoquinoline Openeye Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diisopropoxy-isoquinoline CAS Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-di(propan-2-yloxy)isoquinoline IUPAC Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-di(propan-2-yloxy)isoquinoline Traditional Name: 1-(3,4-diethoxybenzyl)-6,7-diisopropoxy-isoquinoline Formula: C26H33NO4 MolecularWeight: 423.54452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC(C)C)OC(C)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC(C)C)OC(C)C)OCC

InChI

InChI=1S/C26H33NO4/c1-7-28-23-10-9-19(14-24(23)29-8-2)13-22-21-16-26(31-18(5)6)25(30-17(3)4)15-20(21)11-12-27-22/h9-12,14-18H,7-8,13H2,1-6H3