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

Systemtic Name: 3-[[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-propyl-amino]methyl]phenoxy]methyl]benzenecarbonitrile Openeye Name: 3-[[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-propyl-amino]methyl]phenoxy]methyl]benzonitrile CAS Name: 3-[[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-propylamino]methyl]phenoxy]methyl]benzonitrile IUPAC Name: 3-[[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-propylamino]methyl]phenoxy]methyl]benzonitrile Traditional Name: 3-[[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-propyl-amino]methyl]phenoxy]methyl]benzonitrile Formula: C27H32N2O MolecularWeight: 400.55578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O/c1-5-16-29(17-8-6-7-15-27(2,3)4)21-24-12-10-14-26(19-24)30-22-25-13-9-11-23(18-25)20-28/h6,8-14,18-19H,5,16-17,21-22H2,1-4H3/b8-6+