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

Systemtic Name: 5-hexoxy-2-[(2S)-3-[[1-(4-methoxyphenyl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 5-hexoxy-2-[(2S)-2-hydroxy-3-[[2-(4-methoxyphenyl)-1,1-dimethyl-ethyl]amino]propoxy]benzonitrile CAS Name: 5-hexoxy-2-[(2S)-2-hydroxy-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propoxy]benzonitrile IUPAC Name: 5-hexoxy-2-[(2S)-2-hydroxy-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propoxy]benzonitrile Traditional Name: 5-hexoxy-2-[(2S)-2-hydroxy-3-[[2-(4-methoxyphenyl)-1,1-dimethyl-ethyl]amino]propoxy]benzonitrile Formula: C27H38N2O4 MolecularWeight: 454.60162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC(=C(C=C1)OCC(CNC(C)(C)CC2=CC=C(C=C2)OC)O)C#N

Isomeric SMILES

CCCCCCOC1=CC(=C(C=C1)OC[C@H](CNC(C)(C)CC2=CC=C(C=C2)OC)O)C#N

InChI

InChI=1S/C27H38N2O4/c1-5-6-7-8-15-32-25-13-14-26(22(16-25)18-28)33-20-23(30)19-29-27(2,3)17-21-9-11-24(31-4)12-10-21/h9-14,16,23,29-30H,5-8,15,17,19-20H2,1-4H3/t23-/m0/s1