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

Systemtic Name: (E)-N,6,6-trimethyl-N-[[3-(4-phenylbutoxy)phenyl]methyl]hept-2-en-4-yn-1-amine Openeye Name: (E)-N,6,6-trimethyl-N-[[3-(4-phenylbutoxy)phenyl]methyl]hept-2-en-4-yn-1-amine CAS Name: (E)-N,6,6-trimethyl-N-[[3-(4-phenylbutoxy)phenyl]methyl]-1-hept-2-en-4-ynamine IUPAC Name: (E)-N,6,6-trimethyl-N-[[3-(4-phenylbutoxy)phenyl]methyl]hept-2-en-4-yn-1-amine Traditional Name: [(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-[3-(4-phenylbutoxy)benzyl]amine Formula: C27H35NO MolecularWeight: 389.5729

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC=CCN(C)CC1=CC(=CC=C1)OCCCCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C#C/C=C/CN(C)CC1=CC(=CC=C1)OCCCCC2=CC=CC=C2

InChI

InChI=1S/C27H35NO/c1-27(2,3)19-10-6-11-20-28(4)23-25-17-13-18-26(22-25)29-21-12-9-16-24-14-7-5-8-15-24/h5-8,11,13-15,17-18,22H,9,12,16,20-21,23H2,1-4H3/b11-6+