5-(2-phenoxyethylamino)-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile hydrochloride

Systemtic Name: 5-(2-phenoxyethylamino)-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile hydrochloride Openeye Name: 2-isopropyl-5-(2-phenoxyethylamino)-2-(3,4,5-trimethoxyphenyl)pentanenitrile hydrochloride CAS Name: 5-(2-phenoxyethylamino)-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile hydrochloride IUPAC Name: 5-(2-phenoxyethylamino)-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile hydrochloride Traditional Name: 2-isopropyl-5-(2-phenoxyethylamino)-2-(3,4,5-trimethoxyphenyl)valeronitrile hydrochloride Formula: C25H35ClN2O4 MolecularWeight: 463.0094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCNCCOC1=CC=CC=C1)(C#N)C2=CC(=C(C(=C2)OC)OC)OC.Cl

Isomeric SMILES

CC(C)C(CCCNCCOC1=CC=CC=C1)(C#N)C2=CC(=C(C(=C2)OC)OC)OC.Cl

InChI

InChI=1S/C25H34N2O4.ClH/c1-19(2)25(18-26,20-16-22(28-3)24(30-5)23(17-20)29-4)12-9-13-27-14-15-31-21-10-7-6-8-11-21;/h6-8,10-11,16-17,19,27H,9,12-15H2,1-5H3;1H