5-[2-(4,5-dimethoxy-2-pentyl-phenyl)ethyl-methyl-amino]-4-oxidanyl-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile

Systemtic Name: 5-[2-(4,5-dimethoxy-2-pentyl-phenyl)ethyl-methyl-amino]-4-oxidanyl-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile Openeye Name: 5-[2-(4,5-dimethoxy-2-pentyl-phenyl)ethyl-methyl-amino]-4-hydroxy-2-isopropyl-2-(3,4,5-trimethoxyphenyl)pentanenitrile CAS Name: 5-[2-(4,5-dimethoxy-2-pentylphenyl)ethyl-methylamino]-4-hydroxy-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile IUPAC Name: 5-[2-(4,5-dimethoxy-2-pentylphenyl)ethyl-methylamino]-4-hydroxy-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile Traditional Name: 5-[2-(2-amyl-4,5-dimethoxy-phenyl)ethyl-methyl-amino]-4-hydroxy-2-isopropyl-2-(3,4,5-trimethoxyphenyl)valeronitrile Formula: C33H50N2O6 MolecularWeight: 570.7599

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1CCN(C)CC(CC(C#N)(C2=CC(=C(C(=C2)OC)OC)OC)C(C)C)O)OC)OC

Isomeric SMILES

CCCCCC1=CC(=C(C=C1CCN(C)CC(CC(C#N)(C2=CC(=C(C(=C2)OC)OC)OC)C(C)C)O)OC)OC

InChI

InChI=1S/C33H50N2O6/c1-10-11-12-13-24-16-28(37-5)29(38-6)17-25(24)14-15-35(4)21-27(36)20-33(22-34,23(2)3)26-18-30(39-7)32(41-9)31(19-26)40-8/h16-19,23,27,36H,10-15,20-21H2,1-9H3