[5-(3-cyclopentyloxy-4-methoxy-phenyl)-5-(2-pyridin-4-ylethynyl)cyclohexen-1-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [5-(3-cyclopentyloxy-4-methoxy-phenyl)-5-(2-pyridin-4-ylethynyl)cyclohexen-1-yl] tris(fluoranyl)methanesulfonate Openeye Name: [5-[3-(cyclopentoxy)-4-methoxy-phenyl]-5-[2-(4-pyridyl)ethynyl]cyclohexen-1-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [5-(3-cyclopentyloxy-4-methoxyphenyl)-5-(2-pyridin-4-ylethynyl)-1-cyclohexenyl] ester IUPAC Name: [5-(3-cyclopentyloxy-4-methoxyphenyl)-5-(2-pyridin-4-ylethynyl)cyclohexen-1-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [5-[3-(cyclopentoxy)-4-methoxy-phenyl]-5-[2-(4-pyridyl)ethynyl]cyclohexen-1-yl] ester Formula: C26H26F3NO5S MolecularWeight: 521.54855

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCC=C(C2)OS(=O)(=O)C(F)(F)F)C#CC3=CC=NC=C3)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCC=C(C2)OS(=O)(=O)C(F)(F)F)C#CC3=CC=NC=C3)OC4CCCC4

InChI

InChI=1S/C26H26F3NO5S/c1-33-23-9-8-20(17-24(23)34-21-5-2-3-6-21)25(14-10-19-11-15-30-16-12-19)13-4-7-22(18-25)35-36(31,32)26(27,28)29/h7-9,11-12,15-17,21H,2-6,13,18H2,1H3