3-[[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]methyl]phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 3-[[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]methyl]phenoxy]methyl]benzenecarbonitrile Openeye Name: 3-[[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]methyl]phenoxy]methyl]benzonitrile CAS Name: 3-[[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]methyl]phenoxy]methyl]benzonitrile IUPAC Name: 3-[[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]methyl]phenoxy]methyl]benzonitrile Traditional Name: 3-[[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]methyl]phenoxy]methyl]benzonitrile Formula: C26H30N2O MolecularWeight: 386.5292

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC=CC#CC(C)(C)C)CC1=CC(=CC=C1)OCC2=CC=CC(=C2)C#N

Isomeric SMILES

CCN(C/C=C/C#CC(C)(C)C)CC1=CC(=CC=C1)OCC2=CC=CC(=C2)C#N

InChI

InChI=1S/C26H30N2O/c1-5-28(16-8-6-7-15-26(2,3)4)20-23-12-10-14-25(18-23)29-21-24-13-9-11-22(17-24)19-27/h6,8-14,17-18H,5,16,20-21H2,1-4H3/b8-6+