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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-[methyl(4-phenylbutyl)amino]-2-propan-2-yl-pentanenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-2-isopropyl-5-[methyl(4-phenylbutyl)amino]pentanenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-5-[methyl(4-phenylbutyl)amino]-2-propan-2-ylpentanenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[methyl(4-phenylbutyl)amino]-2-propan-2-ylpentanenitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-2-isopropyl-5-[methyl(4-phenylbutyl)amino]valeronitrile Formula: C27H38N2O2 MolecularWeight: 422.60282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN(C)CCCCC1=CC=CC=C1)(C#N)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)C(CCCN(C)CCCCC1=CC=CC=C1)(C#N)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C27H38N2O2/c1-22(2)27(21-28,24-15-16-25(30-4)26(20-24)31-5)17-11-19-29(3)18-10-9-14-23-12-7-6-8-13-23/h6-8,12-13,15-16,20,22H,9-11,14,17-19H2,1-5H3