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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-[2-[2-(hydroxymethyl)-4,5-dimethoxy-phenyl]ethyl-methyl-amino]-4-oxidanyl-2-propan-2-yl-pentanenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-4-hydroxy-5-[2-[2-(hydroxymethyl)-4,5-dimethoxy-phenyl]ethyl-methyl-amino]-2-isopropyl-pentanenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-4-hydroxy-5-[2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]ethyl-methylamino]-2-propan-2-ylpentanenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-4-hydroxy-5-[2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]ethyl-methylamino]-2-propan-2-ylpentanenitrile Traditional Name: 5-[2-(4,5-dimethoxy-2-methylol-phenyl)ethyl-methyl-amino]-2-(3,4-dimethoxyphenyl)-4-hydroxy-2-isopropyl-valeronitrile Formula: C28H40N2O6 MolecularWeight: 500.627

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(CN(C)CCC1=CC(=C(C=C1CO)OC)OC)O)(C#N)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)C(CC(CN(C)CCC1=CC(=C(C=C1CO)OC)OC)O)(C#N)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C28H40N2O6/c1-19(2)28(18-29,22-8-9-24(33-4)27(14-22)36-7)15-23(32)16-30(3)11-10-20-12-25(34-5)26(35-6)13-21(20)17-31/h8-9,12-14,19,23,31-32H,10-11,15-17H2,1-7H3