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

Systemtic Name: 5-[2-(2-butyl-4,5-dimethoxy-phenyl)ethyl-methyl-amino]-2-(3,4-dimethoxyphenyl)-4-oxidanyl-2-propan-2-yl-pentanenitrile Openeye Name: 5-[2-(2-butyl-4,5-dimethoxy-phenyl)ethyl-methyl-amino]-2-(3,4-dimethoxyphenyl)-4-hydroxy-2-isopropyl-pentanenitrile CAS Name: 5-[2-(2-butyl-4,5-dimethoxyphenyl)ethyl-methylamino]-2-(3,4-dimethoxyphenyl)-4-hydroxy-2-propan-2-ylpentanenitrile IUPAC Name: 5-[2-(2-butyl-4,5-dimethoxyphenyl)ethyl-methylamino]-2-(3,4-dimethoxyphenyl)-4-hydroxy-2-propan-2-ylpentanenitrile Traditional Name: 5-[2-(2-butyl-4,5-dimethoxy-phenyl)ethyl-methyl-amino]-2-(3,4-dimethoxyphenyl)-4-hydroxy-2-isopropyl-valeronitrile Formula: C31H46N2O5 MolecularWeight: 526.70734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1CCN(C)CC(CC(C#N)(C2=CC(=C(C=C2)OC)OC)C(C)C)O)OC)OC

Isomeric SMILES

CCCCC1=CC(=C(C=C1CCN(C)CC(CC(C#N)(C2=CC(=C(C=C2)OC)OC)C(C)C)O)OC)OC

InChI

InChI=1S/C31H46N2O5/c1-9-10-11-23-16-28(36-6)29(37-7)17-24(23)14-15-33(4)20-26(34)19-31(21-32,22(2)3)25-12-13-27(35-5)30(18-25)38-8/h12-13,16-18,22,26,34H,9-11,14-15,19-20H2,1-8H3