(E)-6-ethoxy-6-methyl-N-propyl-N-[5-(3-thiophen-3-ylphenoxy)pentyl]hept-2-en-4-yn-1-amine

Systemtic Name: (E)-6-ethoxy-6-methyl-N-propyl-N-[5-(3-thiophen-3-ylphenoxy)pentyl]hept-2-en-4-yn-1-amine Openeye Name: (E)-6-ethoxy-6-methyl-N-propyl-N-[5-[3-(3-thienyl)phenoxy]pentyl]hept-2-en-4-yn-1-amine CAS Name: (E)-6-ethoxy-6-methyl-N-propyl-N-[5-[3-(3-thiophenyl)phenoxy]pentyl]-1-hept-2-en-4-ynamine IUPAC Name: (E)-6-ethoxy-6-methyl-N-propyl-N-[5-(3-thiophen-3-ylphenoxy)pentyl]hept-2-en-4-yn-1-amine Traditional Name: [(E)-6-ethoxy-6-methyl-hept-2-en-4-ynyl]-propyl-[5-[3-(3-thienyl)phenoxy]pentyl]amine Formula: C28H39NO2S MolecularWeight: 453.67976

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCCCOC1=CC=CC(=C1)C2=CSC=C2)CC=CC#CC(C)(C)OCC

Isomeric SMILES

CCCN(CCCCCOC1=CC=CC(=C1)C2=CSC=C2)C/C=C/C#CC(C)(C)OCC

InChI

InChI=1S/C28H39NO2S/c1-5-18-29(19-10-7-9-17-28(3,4)31-6-2)20-11-8-12-21-30-27-15-13-14-25(23-27)26-16-22-32-24-26/h7,10,13-16,22-24H,5-6,8,11-12,18-21H2,1-4H3/b10-7+