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

Systemtic Name: (E)-N-ethyl-6-methoxy-6-methyl-N-[[3-[(3-thiophen-3-ylphenyl)methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine Openeye Name: (E)-N-ethyl-6-methoxy-6-methyl-N-[[3-[[3-(3-thienyl)phenyl]methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine CAS Name: (E)-N-ethyl-6-methoxy-6-methyl-N-[[3-[[3-(3-thiophenyl)phenyl]methoxy]phenyl]methyl]-1-hept-2-en-4-ynamine IUPAC Name: (E)-N-ethyl-6-methoxy-6-methyl-N-[[3-[(3-thiophen-3-ylphenyl)methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine Traditional Name: ethyl-[(E)-6-methoxy-6-methyl-hept-2-en-4-ynyl]-[3-[3-(3-thienyl)benzyl]oxybenzyl]amine Formula: C29H33NO2S MolecularWeight: 459.64282

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC=CC#CC(C)(C)OC)CC1=CC(=CC=C1)OCC2=CC=CC(=C2)C3=CSC=C3

Isomeric SMILES

CCN(C/C=C/C#CC(C)(C)OC)CC1=CC(=CC=C1)OCC2=CC=CC(=C2)C3=CSC=C3

InChI

InChI=1S/C29H33NO2S/c1-5-30(17-8-6-7-16-29(2,3)31-4)21-24-11-10-14-28(20-24)32-22-25-12-9-13-26(19-25)27-15-18-33-23-27/h6,8-15,18-20,23H,5,17,21-22H2,1-4H3/b8-6+