(E)-N,6,6-trimethyl-N-[[3-[(3-pyridin-4-ylphenyl)methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine

Systemtic Name: (E)-N,6,6-trimethyl-N-[[3-[(3-pyridin-4-ylphenyl)methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine Openeye Name: (E)-N,6,6-trimethyl-N-[[3-[[3-(4-pyridyl)phenyl]methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine CAS Name: (E)-N,6,6-trimethyl-N-[[3-[(3-pyridin-4-ylphenyl)methoxy]phenyl]methyl]-1-hept-2-en-4-ynamine IUPAC Name: (E)-N,6,6-trimethyl-N-[[3-[(3-pyridin-4-ylphenyl)methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine Traditional Name: [(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-[3-[3-(4-pyridyl)benzyl]oxybenzyl]amine Formula: C29H32N2O MolecularWeight: 424.57718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC=CCN(C)CC1=CC(=CC=C1)OCC2=CC=CC(=C2)C3=CC=NC=C3

Isomeric SMILES

CC(C)(C)C#C/C=C/CN(C)CC1=CC(=CC=C1)OCC2=CC=CC(=C2)C3=CC=NC=C3

InChI

InChI=1S/C29H32N2O/c1-29(2,3)16-6-5-7-19-31(4)22-24-10-9-13-28(21-24)32-23-25-11-8-12-27(20-25)26-14-17-30-18-15-26/h5,7-15,17-18,20-21H,19,22-23H2,1-4H3/b7-5+