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

Systemtic Name: (E)-6,6-dimethyl-N-propyl-N-[[3-[(3-thiophen-3-ylphenyl)methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine Openeye Name: (E)-6,6-dimethyl-N-propyl-N-[[3-[[3-(3-thienyl)phenyl]methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine CAS Name: (E)-6,6-dimethyl-N-propyl-N-[[3-[[3-(3-thiophenyl)phenyl]methoxy]phenyl]methyl]-1-hept-2-en-4-ynamine IUPAC Name: (E)-6,6-dimethyl-N-propyl-N-[[3-[(3-thiophen-3-ylphenyl)methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine Traditional Name: [(E)-6,6-dimethylhept-2-en-4-ynyl]-propyl-[3-[3-(3-thienyl)benzyl]oxybenzyl]amine Formula: C30H35NOS MolecularWeight: 457.67

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H35NOS/c1-5-17-31(18-8-6-7-16-30(2,3)4)22-25-11-10-14-29(21-25)32-23-26-12-9-13-27(20-26)28-15-19-33-24-28/h6,8-15,19-21,24H,5,17-18,22-23H2,1-4H3/b8-6+