2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-ethyl-5-(5,6,7-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)pentanenitrile

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-ethyl-5-(5,6,7-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)pentanenitrile Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-ethyl-5-(5,6,7-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)pentanenitrile CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-ethyl-5-(5,6,7-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)pentanenitrile IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-ethyl-5-(5,6,7-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)pentanenitrile Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-ethyl-5-(5,6,7-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)valeronitrile Formula: C28H36N2O5 MolecularWeight: 480.59584

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCC1CC2=C(C(=C(C=C2CN1C)OC)OC)OC)(C#N)C3COC4=CC=CC=C4O3

Isomeric SMILES

CCC(CCCC1CC2=C(C(=C(C=C2CN1C)OC)OC)OC)(C#N)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C28H36N2O5/c1-6-28(18-29,25-17-34-22-11-7-8-12-23(22)35-25)13-9-10-20-15-21-19(16-30(20)2)14-24(31-3)27(33-5)26(21)32-4/h7-8,11-12,14,20,25H,6,9-10,13,15-17H2,1-5H3