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

Systemtic Name: (E)-N-ethyl-6,6-dimethyl-N-[[3-(2-thiophen-3-yloxyethoxymethyl)phenyl]methyl]hept-2-en-4-yn-1-amine Openeye Name: (E)-N-ethyl-6,6-dimethyl-N-[[3-[2-(3-thienyloxy)ethoxymethyl]phenyl]methyl]hept-2-en-4-yn-1-amine CAS Name: (E)-N-ethyl-6,6-dimethyl-N-[[3-[2-(3-thiophenyloxy)ethoxymethyl]phenyl]methyl]-1-hept-2-en-4-ynamine IUPAC Name: (E)-N-ethyl-6,6-dimethyl-N-[[3-(2-thiophen-3-yloxyethoxymethyl)phenyl]methyl]hept-2-en-4-yn-1-amine Traditional Name: [(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-[3-[2-(3-thienyloxy)ethoxymethyl]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)COCCOC2=CSC=C2

Isomeric SMILES

CCN(C/C=C/C#CC(C)(C)C)CC1=CC(=CC=C1)COCCOC2=CSC=C2

InChI

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