1-[[3-[2-(isoquinolin-1-ylmethyl)-4,5-dimethoxy-phenoxy]-4-methoxy-phenyl]methyl]isoquinoline

Systemtic Name: 1-[[3-[2-(isoquinolin-1-ylmethyl)-4,5-dimethoxy-phenoxy]-4-methoxy-phenyl]methyl]isoquinoline Openeye Name: 1-[[3-[2-(1-isoquinolylmethyl)-4,5-dimethoxy-phenoxy]-4-methoxy-phenyl]methyl]isoquinoline CAS Name: 1-[[3-[2-(1-isoquinolinylmethyl)-4,5-dimethoxyphenoxy]-4-methoxyphenyl]methyl]isoquinoline IUPAC Name: 1-[[3-[2-(isoquinolin-1-ylmethyl)-4,5-dimethoxyphenoxy]-4-methoxyphenyl]methyl]isoquinoline Traditional Name: 1-[3-[2-(1-isoquinolylmethyl)-4,5-dimethoxy-phenoxy]-4-methoxy-benzyl]isoquinoline Formula: C35H30N2O4 MolecularWeight: 542.6237

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NC=CC3=CC=CC=C32)OC4=CC(=C(C=C4CC5=NC=CC6=CC=CC=C65)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NC=CC3=CC=CC=C32)OC4=CC(=C(C=C4CC5=NC=CC6=CC=CC=C65)OC)OC

InChI

InChI=1S/C35H30N2O4/c1-38-31-13-12-23(18-29-27-10-6-4-8-24(27)14-16-36-29)19-35(31)41-32-22-34(40-3)33(39-2)21-26(32)20-30-28-11-7-5-9-25(28)15-17-37-30/h4-17,19,21-22H,18,20H2,1-3H3