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

Systemtic Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-methyl-amino]-2-(3,5-dimethoxyphenyl)-2-propan-2-yl-pentanenitrile Openeye Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-methyl-amino]-2-(3,5-dimethoxyphenyl)-2-isopropyl-pentanenitrile CAS Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-methylamino]-2-(3,5-dimethoxyphenyl)-2-propan-2-ylpentanenitrile IUPAC Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-methylamino]-2-(3,5-dimethoxyphenyl)-2-propan-2-ylpentanenitrile Traditional Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-methyl-amino]-2-(3,5-dimethoxyphenyl)-2-isopropyl-valeronitrile Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C#N)(C1=CC(=CC(=C1)OC)OC)C(C)C)N(C)CCC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCC(C(C#N)(C1=CC(=CC(=C1)OC)OC)C(C)C)N(C)CCC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C27H36N2O4/c1-7-26(29(4)11-10-20-8-9-24-25(14-20)33-13-12-32-24)27(18-28,19(2)3)21-15-22(30-5)17-23(16-21)31-6/h8-9,14-17,19,26H,7,10-13H2,1-6H3