2-(3,4-dimethoxyphenyl)-2-methyl-5-(2,6,7-trimethoxy-5,8-dipentoxy-3,4-dihydro-1H-isoquinolin-3-yl)pentanenitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-2-methyl-5-(2,6,7-trimethoxy-5,8-dipentoxy-3,4-dihydro-1H-isoquinolin-3-yl)pentanenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-2-methyl-5-(2,6,7-trimethoxy-5,8-dipentoxy-3,4-dihydro-1H-isoquinolin-3-yl)pentanenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-2-methyl-5-(2,6,7-trimethoxy-5,8-dipentoxy-3,4-dihydro-1H-isoquinolin-3-yl)pentanenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-2-methyl-5-(2,6,7-trimethoxy-5,8-dipentoxy-3,4-dihydro-1H-isoquinolin-3-yl)pentanenitrile Traditional Name: 5-(5,8-diamoxy-2,6,7-trimethoxy-3,4-dihydro-1H-isoquinolin-3-yl)-2-(3,4-dimethoxyphenyl)-2-methyl-valeronitrile Formula: C36H54N2O7 MolecularWeight: 626.82316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C(=C(C2=C1CC(N(C2)OC)CCCC(C)(C#N)C3=CC(=C(C=C3)OC)OC)OCCCCC)OC)OC

Isomeric SMILES

CCCCCOC1=C(C(=C(C2=C1CC(N(C2)OC)CCCC(C)(C#N)C3=CC(=C(C=C3)OC)OC)OCCCCC)OC)OC

InChI

InChI=1S/C36H54N2O7/c1-9-11-13-20-44-32-28-23-27(16-15-19-36(3,25-37)26-17-18-30(39-4)31(22-26)40-5)38(43-8)24-29(28)33(45-21-14-12-10-2)35(42-7)34(32)41-6/h17-18,22,27H,9-16,19-21,23-24H2,1-8H3