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

Systemtic Name: (E)-N-ethyl-6,6-dimethyl-N-[[3-(3-thiophen-3-ylpropoxymethyl)phenyl]methyl]hept-2-en-4-yn-1-amine Openeye Name: (E)-N-ethyl-6,6-dimethyl-N-[[3-[3-(3-thienyl)propoxymethyl]phenyl]methyl]hept-2-en-4-yn-1-amine CAS Name: (E)-N-ethyl-6,6-dimethyl-N-[[3-[3-(3-thiophenyl)propoxymethyl]phenyl]methyl]-1-hept-2-en-4-ynamine IUPAC Name: (E)-N-ethyl-6,6-dimethyl-N-[[3-(3-thiophen-3-ylpropoxymethyl)phenyl]methyl]hept-2-en-4-yn-1-amine Traditional Name: [(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-[3-[3-(3-thienyl)propoxymethyl]benzyl]amine Formula: C26H35NOS MolecularWeight: 409.6272

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC=CC#CC(C)(C)C)CC1=CC(=CC=C1)COCCCC2=CSC=C2

Isomeric SMILES

CCN(C/C=C/C#CC(C)(C)C)CC1=CC(=CC=C1)COCCCC2=CSC=C2

InChI

InChI=1S/C26H35NOS/c1-5-27(16-8-6-7-15-26(2,3)4)20-24-11-9-12-25(19-24)21-28-17-10-13-23-14-18-29-22-23/h6,8-9,11-12,14,18-19,22H,5,10,13,16-17,20-21H2,1-4H3/b8-6+