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

Systemtic Name: 2-[[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amino]methyl]phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amino]methyl]phenoxy]methyl]benzonitrile CAS Name: 2-[[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methylamino]methyl]phenoxy]methyl]benzonitrile IUPAC Name: 2-[[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methylamino]methyl]phenoxy]methyl]benzonitrile Traditional Name: 2-[[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amino]methyl]phenoxy]methyl]benzonitrile Formula: C25H28N2O MolecularWeight: 372.50262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC=CCN(C)CC1=CC(=CC=C1)OCC2=CC=CC=C2C#N

Isomeric SMILES

CC(C)(C)C#C/C=C/CN(C)CC1=CC(=CC=C1)OCC2=CC=CC=C2C#N

InChI

InChI=1S/C25H28N2O/c1-25(2,3)15-8-5-9-16-27(4)19-21-11-10-14-24(17-21)28-20-23-13-7-6-12-22(23)18-26/h5-7,9-14,17H,16,19-20H2,1-4H3/b9-5+