5-[2-(3,5-diethoxyphenyl)ethyl-methyl-amino]-2-phenyl-2-propan-2-yl-pentanenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)CCN(C)CCCC(C#N)(C2=CC=CC=C2)C(C)C)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1)CCN(C)CCCC(C#N)(C2=CC=CC=C2)C(C)C)OCC

InChI

InChI=1S/C27H38N2O2/c1-6-30-25-18-23(19-26(20-25)31-7-2)14-17-29(5)16-11-15-27(21-28,22(3)4)24-12-9-8-10-13-24/h8-10,12-13,18-20,22H,6-7,11,14-17H2,1-5H3