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

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)-2-ethyl-pentanenitrile Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)-2-ethyl-pentanenitrile CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)-2-ethylpentanenitrile IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)-2-ethylpentanenitrile Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)-2-ethyl-valeronitrile Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N2O4/c1-5-27(18-28,26-17-32-22-10-6-7-11-23(22)33-26)12-8-9-21-13-19-14-24(30-3)25(31-4)15-20(19)16-29(21)2/h6-7,10-11,14-15,21,26H,5,8-9,12-13,16-17H2,1-4H3