6-methyl-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-4-(trifluoromethylsulfonyloxy)cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-methyl-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-4-(trifluoromethylsulfonyloxy)cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-methyl-5-[[4-[2-(1-piperidyl)ethoxy]phenyl]methyl]-4-(trifluoromethylsulfonyloxy)cyclohex-3-ene-1-carboxylic acid CAS Name: 6-methyl-5-[[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-4-(trifluoromethylsulfonyloxy)-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-methyl-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-4-(trifluoromethylsulfonyloxy)cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-methyl-5-[4-(2-piperidinoethoxy)benzyl]-4-triflyloxy-cyclohex-3-ene-1-carboxylic acid Formula: C23H30F3NO6S MolecularWeight: 505.54761

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC=C(C1CC2=CC=C(C=C2)OCCN3CCCCC3)OS(=O)(=O)C(F)(F)F)C(=O)O

Isomeric SMILES

CC1C(CC=C(C1CC2=CC=C(C=C2)OCCN3CCCCC3)OS(=O)(=O)C(F)(F)F)C(=O)O

InChI

InChI=1S/C23H30F3NO6S/c1-16-19(22(28)29)9-10-21(33-34(30,31)23(24,25)26)20(16)15-17-5-7-18(8-6-17)32-14-13-27-11-3-2-4-12-27/h5-8,10,16,19-20H,2-4,9,11-15H2,1H3,(H,28,29)