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

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

CCC(C(C#N)(C1=CC=CC=C1)C(C)C)N(C)CCC2=CC(=CC(=C2)OCC)OCC

Isomeric SMILES

CCC(C(C#N)(C1=CC=CC=C1)C(C)C)N(C)CCC2=CC(=CC(=C2)OCC)OCC

InChI

InChI=1S/C27H38N2O2/c1-7-26(27(20-28,21(4)5)23-13-11-10-12-14-23)29(6)16-15-22-17-24(30-8-2)19-25(18-22)31-9-3/h10-14,17-19,21,26H,7-9,15-16H2,1-6H3