(E)-N-ethyl-6,6-dimethyl-N-[[3-(3-thiophen-3-yloxypropoxy)phenyl]methyl]hept-2-en-4-yn-1-amine

Systemtic Name: (E)-N-ethyl-6,6-dimethyl-N-[[3-(3-thiophen-3-yloxypropoxy)phenyl]methyl]hept-2-en-4-yn-1-amine Openeye Name: (E)-N-ethyl-6,6-dimethyl-N-[[3-[3-(3-thienyloxy)propoxy]phenyl]methyl]hept-2-en-4-yn-1-amine CAS Name: (E)-N-ethyl-6,6-dimethyl-N-[[3-[3-(3-thiophenyloxy)propoxy]phenyl]methyl]-1-hept-2-en-4-ynamine IUPAC Name: (E)-N-ethyl-6,6-dimethyl-N-[[3-(3-thiophen-3-yloxypropoxy)phenyl]methyl]hept-2-en-4-yn-1-amine Traditional Name: [(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-[3-[3-(3-thienyloxy)propoxy]benzyl]amine Formula: C25H33NO2S MolecularWeight: 411.60002

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC=CC#CC(C)(C)C)CC1=CC(=CC=C1)OCCCOC2=CSC=C2

Isomeric SMILES

CCN(C/C=C/C#CC(C)(C)C)CC1=CC(=CC=C1)OCCCOC2=CSC=C2

InChI

InChI=1S/C25H33NO2S/c1-5-26(15-8-6-7-14-25(2,3)4)20-22-11-9-12-23(19-22)27-16-10-17-28-24-13-18-29-21-24/h6,8-9,11-13,18-19,21H,5,10,15-17,20H2,1-4H3/b8-6+