4-[3-[[1-(4-methoxyphenyl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile chloride

Systemtic Name: 4-[3-[[1-(4-methoxyphenyl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile chloride Openeye Name: 4-[2-hydroxy-3-[[2-(4-methoxyphenyl)-1,1-dimethyl-ethyl]amino]propoxy]benzonitrile chloride CAS Name: 4-[2-hydroxy-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propoxy]benzonitrile chloride IUPAC Name: 4-[2-hydroxy-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propoxy]benzonitrile chloride Traditional Name: 4-[2-hydroxy-3-[[2-(4-methoxyphenyl)-1,1-dimethyl-ethyl]amino]propoxy]benzonitrile chloride Formula: C21H26ClN2O3- MolecularWeight: 389.89574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=C(C=C1)OC)NCC(COC2=CC=C(C=C2)C#N)O.[Cl-]

Isomeric SMILES

CC(C)(CC1=CC=C(C=C1)OC)NCC(COC2=CC=C(C=C2)C#N)O.[Cl-]

InChI

InChI=1S/C21H26N2O3.ClH/c1-21(2,12-16-4-8-19(25-3)9-5-16)23-14-18(24)15-26-20-10-6-17(13-22)7-11-20;/h4-11,18,23-24H,12,14-15H2,1-3H3;1H/p-1