3-[2-(3,5-dimethoxyphenyl)ethyl-methyl-amino]-2-(3-ethoxyphenyl)-2-propan-2-yl-pentanenitrile hydrochloride

Systemtic Name: 3-[2-(3,5-dimethoxyphenyl)ethyl-methyl-amino]-2-(3-ethoxyphenyl)-2-propan-2-yl-pentanenitrile hydrochloride Openeye Name: 3-[2-(3,5-dimethoxyphenyl)ethyl-methyl-amino]-2-(3-ethoxyphenyl)-2-isopropyl-pentanenitrile hydrochloride CAS Name: 3-[2-(3,5-dimethoxyphenyl)ethyl-methylamino]-2-(3-ethoxyphenyl)-2-propan-2-ylpentanenitrile hydrochloride IUPAC Name: 3-[2-(3,5-dimethoxyphenyl)ethyl-methylamino]-2-(3-ethoxyphenyl)-2-propan-2-ylpentanenitrile hydrochloride Traditional Name: 3-[2-(3,5-dimethoxyphenyl)ethyl-methyl-amino]-2-isopropyl-2-m-phenetyl-valeronitrile hydrochloride Formula: C27H39ClN2O3 MolecularWeight: 475.06316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N2O3.ClH/c1-8-26(29(5)14-13-21-15-24(30-6)18-25(16-21)31-7)27(19-28,20(3)4)22-11-10-12-23(17-22)32-9-2;/h10-12,15-18,20,26H,8-9,13-14H2,1-7H3;1H