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

Systemtic Name: (E)-N-ethyl-6-methyl-N-[[3-[(3-thiophen-3-ylphenyl)methoxy]phenyl]methyl]oct-2-en-4-yn-1-amine Openeye Name: (E)-N-ethyl-6-methyl-N-[[3-[[3-(3-thienyl)phenyl]methoxy]phenyl]methyl]oct-2-en-4-yn-1-amine CAS Name: (E)-N-ethyl-6-methyl-N-[[3-[[3-(3-thiophenyl)phenyl]methoxy]phenyl]methyl]-1-oct-2-en-4-ynamine IUPAC Name: (E)-N-ethyl-6-methyl-N-[[3-[(3-thiophen-3-ylphenyl)methoxy]phenyl]methyl]oct-2-en-4-yn-1-amine Traditional Name: ethyl-[(E)-6-methyloct-2-en-4-ynyl]-[3-[3-(3-thienyl)benzyl]oxybenzyl]amine Formula: C29H33NOS MolecularWeight: 443.64342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33NOS/c1-4-24(3)11-7-6-8-17-30(5-2)21-25-12-10-15-29(20-25)31-22-26-13-9-14-27(19-26)28-16-18-32-23-28/h6,8-10,12-16,18-20,23-24H,4-5,17,21-22H2,1-3H3/b8-6+