4-[6-(4-ethoxyphenyl)-6-methyl-hept-1-yn-3-yl]-1-fluoranyl-2-phenoxy-benzene

Systemtic Name: 4-[6-(4-ethoxyphenyl)-6-methyl-hept-1-yn-3-yl]-1-fluoranyl-2-phenoxy-benzene Openeye Name: 4-[4-(4-ethoxyphenyl)-1-ethynyl-4-methyl-pentyl]-1-fluoro-2-phenoxy-benzene CAS Name: 4-[6-(4-ethoxyphenyl)-6-methylhept-1-yn-3-yl]-1-fluoro-2-phenoxybenzene IUPAC Name: 4-[6-(4-ethoxyphenyl)-6-methylhept-1-yn-3-yl]-1-fluoro-2-phenoxybenzene Traditional Name: 1-fluoro-4-[1-(3-methyl-3-p-phenetyl-butyl)prop-2-ynyl]-2-phenoxy-benzene Formula: C28H29FO2 MolecularWeight: 416.527063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C)(C)CCC(C#C)C2=CC(=C(C=C2)F)OC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C)(C)CCC(C#C)C2=CC(=C(C=C2)F)OC3=CC=CC=C3

InChI

InChI=1S/C28H29FO2/c1-5-21(18-19-28(3,4)23-13-15-24(16-14-23)30-6-2)22-12-17-26(29)27(20-22)31-25-10-8-7-9-11-25/h1,7-17,20-21H,6,18-19H2,2-4H3