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

Systemtic Name: 5-[2-(4H-1,3-benzodioxin-6-yl)ethyl-methyl-amino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile Openeye Name: 5-[2-(4H-1,3-benzodioxin-6-yl)ethyl-methyl-amino]-2-isopropyl-2-(3,4,5-trimethoxyphenyl)pentanenitrile CAS Name: 5-[2-(4H-1,3-benzodioxin-6-yl)ethyl-methylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile IUPAC Name: 5-[2-(4H-1,3-benzodioxin-6-yl)ethyl-methylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile Traditional Name: 5-[2-(4H-1,3-benzodioxin-6-yl)ethyl-methyl-amino]-2-isopropyl-2-(3,4,5-trimethoxyphenyl)valeronitrile Formula: C28H38N2O5 MolecularWeight: 482.61172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN(C)CCC1=CC2=C(C=C1)OCOC2)(C#N)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC(C)C(CCCN(C)CCC1=CC2=C(C=C1)OCOC2)(C#N)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C28H38N2O5/c1-20(2)28(18-29,23-15-25(31-4)27(33-6)26(16-23)32-5)11-7-12-30(3)13-10-21-8-9-24-22(14-21)17-34-19-35-24/h8-9,14-16,20H,7,10-13,17,19H2,1-6H3