5-[2-[4,5-dimethoxy-2-[(E)-3-oxidanylidenebut-1-enyl]phenyl]ethyl-methyl-amino]-2-(3,4-dimethoxyphenyl)-4-oxidanyl-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[2-[4,5-dimethoxy-2-[(E)-3-oxidanylidenebut-1-enyl]phenyl]ethyl-methyl-amino]-2-(3,4-dimethoxyphenyl)-4-oxidanyl-2-propan-2-yl-pentanenitrile Openeye Name: 5-[2-[4,5-dimethoxy-2-[(E)-3-oxobut-1-enyl]phenyl]ethyl-methyl-amino]-2-(3,4-dimethoxyphenyl)-4-hydroxy-2-isopropyl-pentanenitrile CAS Name: 5-[2-[4,5-dimethoxy-2-[(E)-3-oxobut-1-enyl]phenyl]ethyl-methylamino]-2-(3,4-dimethoxyphenyl)-4-hydroxy-2-propan-2-ylpentanenitrile IUPAC Name: 5-[2-[4,5-dimethoxy-2-[(E)-3-oxobut-1-enyl]phenyl]ethyl-methylamino]-2-(3,4-dimethoxyphenyl)-4-hydroxy-2-propan-2-ylpentanenitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-4-hydroxy-2-isopropyl-5-[2-[2-[(E)-3-ketobut-1-enyl]-4,5-dimethoxy-phenyl]ethyl-methyl-amino]valeronitrile Formula: C31H42N2O6 MolecularWeight: 538.67498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(CN(C)CCC1=CC(=C(C=C1C=CC(=O)C)OC)OC)O)(C#N)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C31H42N2O6/c1-21(2)31(20-32,25-11-12-27(36-5)30(17-25)39-8)18-26(35)19-33(4)14-13-24-16-29(38-7)28(37-6)15-23(24)10-9-22(3)34/h9-12,15-17,21,26,35H,13-14,18-19H2,1-8H3/b10-9+