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

Systemtic Name: [4-(3-cyclopentyloxy-4-methoxy-phenyl)-4-(2-pyridin-4-ylethynyl)cyclohexen-1-yl] tris(fluoranyl)methanesulfonate Openeye Name: [4-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-[2-(4-pyridyl)ethynyl]cyclohexen-1-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-(3-cyclopentyloxy-4-methoxyphenyl)-4-(2-pyridin-4-ylethynyl)-1-cyclohexenyl] ester IUPAC Name: [4-(3-cyclopentyloxy-4-methoxyphenyl)-4-(2-pyridin-4-ylethynyl)cyclohexen-1-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-[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(=CC2)OS(=O)(=O)C(F)(F)F)C#CC3=CC=NC=C3)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCC(=CC2)OS(=O)(=O)C(F)(F)F)C#CC3=CC=NC=C3)OC4CCCC4

InChI

InChI=1S/C26H26F3NO5S/c1-33-23-7-6-20(18-24(23)34-21-4-2-3-5-21)25(13-8-19-11-16-30-17-12-19)14-9-22(10-15-25)35-36(31,32)26(27,28)29/h6-7,9,11-12,16-18,21H,2-5,10,14-15H2,1H3