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

Systemtic Name: 4-[6-(4-chlorophenyl)-6-methyl-hept-1-yn-3-yl]-1-fluoranyl-2-phenoxy-benzene Openeye Name: 4-[4-(4-chlorophenyl)-1-ethynyl-4-methyl-pentyl]-1-fluoro-2-phenoxy-benzene CAS Name: 4-[6-(4-chlorophenyl)-6-methylhept-1-yn-3-yl]-1-fluoro-2-phenoxybenzene IUPAC Name: 4-[6-(4-chlorophenyl)-6-methylhept-1-yn-3-yl]-1-fluoro-2-phenoxybenzene Traditional Name: 4-[1-[3-(4-chlorophenyl)-3-methyl-butyl]prop-2-ynyl]-1-fluoro-2-phenoxy-benzene Formula: C26H24ClFO MolecularWeight: 406.919563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC(C#C)C1=CC(=C(C=C1)F)OC2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(CCC(C#C)C1=CC(=C(C=C1)F)OC2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C26H24ClFO/c1-4-19(16-17-26(2,3)21-11-13-22(27)14-12-21)20-10-15-24(28)25(18-20)29-23-8-6-5-7-9-23/h1,5-15,18-19H,16-17H2,2-3H3