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

Systemtic Name: 1-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]-5-(3-thiophen-3-ylphenoxy)pentan-2-ol Openeye Name: 1-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]-5-[3-(3-thienyl)phenoxy]pentan-2-ol CAS Name: 1-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]-5-[3-(3-thiophenyl)phenoxy]-2-pentanol IUPAC Name: 1-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]-5-(3-thiophen-3-ylphenoxy)pentan-2-ol Traditional Name: 1-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]-5-[3-(3-thienyl)phenoxy]pentan-2-ol Formula: C26H35NO2S MolecularWeight: 425.6266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35NO2S/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/h6,8-9,11,13-14,18-19,21,24,28H,5,10,12,16-17,20H2,1-4H3/b8-6+