2-(3,4-dimethoxyphenyl)-5-[methyl-[3-(3-methylphenoxy)-2-oxidanyl-propyl]amino]-2-propan-2-yl-pentanenitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-[methyl-[3-(3-methylphenoxy)-2-oxidanyl-propyl]amino]-2-propan-2-yl-pentanenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-5-[[2-hydroxy-3-(3-methylphenoxy)propyl]-methyl-amino]-2-isopropyl-pentanenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-5-[[2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-2-propan-2-ylpentanenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[[2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-2-propan-2-ylpentanenitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-5-[[2-hydroxy-3-(3-methylphenoxy)propyl]-methyl-amino]-2-isopropyl-valeronitrile Formula: C27H38N2O4 MolecularWeight: 454.60162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CN(C)CCCC(C#N)(C2=CC(=C(C=C2)OC)OC)C(C)C)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC(CN(C)CCCC(C#N)(C2=CC(=C(C=C2)OC)OC)C(C)C)O

InChI

InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-11-12-25(31-5)26(16-22)32-6)13-8-14-29(4)17-23(30)18-33-24-10-7-9-21(3)15-24/h7,9-12,15-16,20,23,30H,8,13-14,17-18H2,1-6H3