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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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