5-[2-(4H-1,3-benzodioxin-6-yl)ethyl-methyl-amino]-2-(3,5-diethoxyphenyl)-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[2-(4H-1,3-benzodioxin-6-yl)ethyl-methyl-amino]-2-(3,5-diethoxyphenyl)-2-propan-2-yl-pentanenitrile Openeye Name: 5-[2-(4H-1,3-benzodioxin-6-yl)ethyl-methyl-amino]-2-(3,5-diethoxyphenyl)-2-isopropyl-pentanenitrile CAS Name: 5-[2-(4H-1,3-benzodioxin-6-yl)ethyl-methylamino]-2-(3,5-diethoxyphenyl)-2-propan-2-ylpentanenitrile IUPAC Name: 5-[2-(4H-1,3-benzodioxin-6-yl)ethyl-methylamino]-2-(3,5-diethoxyphenyl)-2-propan-2-ylpentanenitrile Traditional Name: 5-[2-(4H-1,3-benzodioxin-6-yl)ethyl-methyl-amino]-2-(3,5-diethoxyphenyl)-2-isopropyl-valeronitrile Formula: C29H40N2O4 MolecularWeight: 480.6389

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C(CCCN(C)CCC2=CC3=C(C=C2)OCOC3)(C#N)C(C)C)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(CCCN(C)CCC2=CC3=C(C=C2)OCOC3)(C#N)C(C)C)OCC

InChI

InChI=1S/C29H40N2O4/c1-6-33-26-16-25(17-27(18-26)34-7-2)29(20-30,22(3)4)12-8-13-31(5)14-11-23-9-10-28-24(15-23)19-32-21-35-28/h9-10,15-18,22H,6-8,11-14,19,21H2,1-5H3