2-(1,3-benzodioxol-2-yl)-5-(6,7-dimethoxy-2-methyl-5,8-dipentoxy-3,4-dihydro-1H-isoquinolin-3-yl)-2-ethyl-pentanenitrile

Systemtic Name: 2-(1,3-benzodioxol-2-yl)-5-(6,7-dimethoxy-2-methyl-5,8-dipentoxy-3,4-dihydro-1H-isoquinolin-3-yl)-2-ethyl-pentanenitrile Openeye Name: 2-(1,3-benzodioxol-2-yl)-5-(6,7-dimethoxy-2-methyl-5,8-dipentoxy-3,4-dihydro-1H-isoquinolin-3-yl)-2-ethyl-pentanenitrile CAS Name: 2-(1,3-benzodioxol-2-yl)-5-(6,7-dimethoxy-2-methyl-5,8-dipentoxy-3,4-dihydro-1H-isoquinolin-3-yl)-2-ethylpentanenitrile IUPAC Name: 2-(1,3-benzodioxol-2-yl)-5-(6,7-dimethoxy-2-methyl-5,8-dipentoxy-3,4-dihydro-1H-isoquinolin-3-yl)-2-ethylpentanenitrile Traditional Name: 2-(1,3-benzodioxol-2-yl)-5-(5,8-diamoxy-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)-2-ethyl-valeronitrile Formula: C36H52N2O6 MolecularWeight: 608.80788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C(=C(C2=C1CC(N(C2)C)CCCC(CC)(C#N)C3OC4=CC=CC=C4O3)OCCCCC)OC)OC

Isomeric SMILES

CCCCCOC1=C(C(=C(C2=C1CC(N(C2)C)CCCC(CC)(C#N)C3OC4=CC=CC=C4O3)OCCCCC)OC)OC

InChI

InChI=1S/C36H52N2O6/c1-7-10-14-21-41-31-27-23-26(17-16-20-36(9-3,25-37)35-43-29-18-12-13-19-30(29)44-35)38(4)24-28(27)32(42-22-15-11-8-2)34(40-6)33(31)39-5/h12-13,18-19,26,35H,7-11,14-17,20-24H2,1-6H3