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

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

CC(C)C(CCCN(C)CCC1=CC2=C(C=C1)OCCO2)(C#N)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CC(C)C(CCCN(C)CCC1=CC2=C(C=C1)OCCO2)(C#N)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C27H36N2O4/c1-20(2)27(19-28,22-16-23(30-4)18-24(17-22)31-5)10-6-11-29(3)12-9-21-7-8-25-26(15-21)33-14-13-32-25/h7-8,15-18,20H,6,9-14H2,1-5H3