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

Systemtic Name: (E)-6-ethoxy-N-ethyl-6-methyl-N-[[3-[(3-thiophen-3-ylphenyl)methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine Openeye Name: (E)-6-ethoxy-N-ethyl-6-methyl-N-[[3-[[3-(3-thienyl)phenyl]methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine CAS Name: (E)-6-ethoxy-N-ethyl-6-methyl-N-[[3-[[3-(3-thiophenyl)phenyl]methoxy]phenyl]methyl]-1-hept-2-en-4-ynamine IUPAC Name: (E)-6-ethoxy-N-ethyl-6-methyl-N-[[3-[(3-thiophen-3-ylphenyl)methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine Traditional Name: [(E)-6-ethoxy-6-methyl-hept-2-en-4-ynyl]-ethyl-[3-[3-(3-thienyl)benzyl]oxybenzyl]amine Formula: C30H35NO2S MolecularWeight: 473.6694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H35NO2S/c1-5-31(18-9-7-8-17-30(3,4)33-6-2)22-25-12-11-15-29(21-25)32-23-26-13-10-14-27(20-26)28-16-19-34-24-28/h7,9-16,19-21,24H,5-6,18,22-23H2,1-4H3/b9-7+