5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-(3-methoxy-4-oxidanyl-phenyl)-2-propyl-pentanenitrile

Systemtic Name: 5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-(3-methoxy-4-oxidanyl-phenyl)-2-propyl-pentanenitrile Openeye Name: 5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-(4-hydroxy-3-methoxy-phenyl)-2-propyl-pentanenitrile CAS Name: 5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-(4-hydroxy-3-methoxyphenyl)-2-propylpentanenitrile IUPAC Name: 5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-(4-hydroxy-3-methoxyphenyl)-2-propylpentanenitrile Traditional Name: 5-[homoveratryl(methyl)amino]-2-(4-hydroxy-3-methoxy-phenyl)-2-propyl-valeronitrile Formula: C26H36N2O4 MolecularWeight: 440.57504

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)O)OC

Isomeric SMILES

CCCC(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)O)OC

InChI

InChI=1S/C26H36N2O4/c1-6-13-26(19-27,21-9-10-22(29)24(18-21)31-4)14-7-15-28(2)16-12-20-8-11-23(30-3)25(17-20)32-5/h8-11,17-18,29H,6-7,12-16H2,1-5H3