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

Systemtic Name: 2-(3-ethoxyphenyl)-3-[2-(3-ethoxyphenyl)ethyl-methyl-amino]-2-propan-2-yl-pentanenitrile hydrochloride Openeye Name: 2-(3-ethoxyphenyl)-3-[2-(3-ethoxyphenyl)ethyl-methyl-amino]-2-isopropyl-pentanenitrile hydrochloride CAS Name: 2-(3-ethoxyphenyl)-3-[2-(3-ethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile hydrochloride IUPAC Name: 2-(3-ethoxyphenyl)-3-[2-(3-ethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile hydrochloride Traditional Name: 2-isopropyl-3-[methyl(2-m-phenetylethyl)amino]-2-m-phenetyl-valeronitrile hydrochloride Formula: C27H39ClN2O2 MolecularWeight: 459.06376

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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)OCC.Cl

Isomeric SMILES

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

InChI

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