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

Systemtic Name: (E)-N-ethyl-N-[[3-[(3-thiophen-3-ylphenyl)methoxy]phenyl]methyl]oct-2-en-4-yn-1-amine Openeye Name: (E)-N-ethyl-N-[[3-[[3-(3-thienyl)phenyl]methoxy]phenyl]methyl]oct-2-en-4-yn-1-amine CAS Name: (E)-N-ethyl-N-[[3-[[3-(3-thiophenyl)phenyl]methoxy]phenyl]methyl]-1-oct-2-en-4-ynamine IUPAC Name: (E)-N-ethyl-N-[[3-[(3-thiophen-3-ylphenyl)methoxy]phenyl]methyl]oct-2-en-4-yn-1-amine Traditional Name: ethyl-[(E)-oct-2-en-4-ynyl]-[3-[3-(3-thienyl)benzyl]oxybenzyl]amine Formula: C28H31NOS MolecularWeight: 429.61684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC#C/C=C/CN(CC)CC1=CC(=CC=C1)OCC2=CC=CC(=C2)C3=CSC=C3

InChI

InChI=1S/C28H31NOS/c1-3-5-6-7-8-9-17-29(4-2)21-24-12-11-15-28(20-24)30-22-25-13-10-14-26(19-25)27-16-18-31-23-27/h8-16,18-20,23H,3-5,17,21-22H2,1-2H3/b9-8+