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

Systemtic Name: (E)-N-butyl-6,6-dimethyl-N-[[3-[(3-thiophen-3-ylphenyl)methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine Openeye Name: (E)-N-butyl-6,6-dimethyl-N-[[3-[[3-(3-thienyl)phenyl]methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine CAS Name: (E)-N-butyl-6,6-dimethyl-N-[[3-[[3-(3-thiophenyl)phenyl]methoxy]phenyl]methyl]-1-hept-2-en-4-ynamine IUPAC Name: (E)-N-butyl-6,6-dimethyl-N-[[3-[(3-thiophen-3-ylphenyl)methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine Traditional Name: butyl-[(E)-6,6-dimethylhept-2-en-4-ynyl]-[3-[3-(3-thienyl)benzyl]oxybenzyl]amine Formula: C31H37NOS MolecularWeight: 471.69658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H37NOS/c1-5-6-18-32(19-9-7-8-17-31(2,3)4)23-26-12-11-15-30(22-26)33-24-27-13-10-14-28(21-27)29-16-20-34-25-29/h7,9-16,20-22,25H,5-6,18-19,23-24H2,1-4H3/b9-7+