3-[[3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]-methyl-amino]propanenitrile hydrochloride

Systemtic Name: 3-[[3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]-methyl-amino]propanenitrile hydrochloride Openeye Name: 3-[[3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]-methyl-amino]propanenitrile hydrochloride CAS Name: 3-[[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-methylamino]propanenitrile hydrochloride IUPAC Name: 3-[[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-methylamino]propanenitrile hydrochloride Traditional Name: 3-[[3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]-methyl-amino]propionitrile hydrochloride Formula: C18H29ClN2O2 MolecularWeight: 340.88806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CN(C)CCC#N)O.Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CN(C)CCC#N)O.Cl

InChI

InChI=1S/C18H28N2O2.ClH/c1-14-11-15(18(2,3)4)7-8-17(14)22-13-16(21)12-20(5)10-6-9-19;/h7-8,11,16,21H,6,10,12-13H2,1-5H3;1H