1-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]-5-(3-thiophen-3-ylphenoxy)pentan-2-one

Systemtic Name: 1-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]-5-(3-thiophen-3-ylphenoxy)pentan-2-one Openeye Name: 1-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]-5-[3-(3-thienyl)phenoxy]pentan-2-one CAS Name: 1-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]-5-[3-(3-thiophenyl)phenoxy]-2-pentanone IUPAC Name: 1-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]-5-(3-thiophen-3-ylphenoxy)pentan-2-one Traditional Name: 1-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]-5-[3-(3-thienyl)phenoxy]pentan-2-one Formula: C26H33NO2S MolecularWeight: 423.61072

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC=CC#CC(C)(C)C)CC(=O)CCCOC1=CC=CC(=C1)C2=CSC=C2

Isomeric SMILES

CCN(C/C=C/C#CC(C)(C)C)CC(=O)CCCOC1=CC=CC(=C1)C2=CSC=C2

InChI

InChI=1S/C26H33NO2S/c1-5-27(16-8-6-7-15-26(2,3)4)20-24(28)12-10-17-29-25-13-9-11-22(19-25)23-14-18-30-21-23/h6,8-9,11,13-14,18-19,21H,5,10,12,16-17,20H2,1-4H3/b8-6+