2,2,2-tris(fluoranyl)ethyl (1R,2S)-2-[2-(1-adamantyloxy)ethylcarbamoyl]cyclohexane-1-carboxylate

Systemtic Name: 2,2,2-tris(fluoranyl)ethyl (1R,2S)-2-[2-(1-adamantyloxy)ethylcarbamoyl]cyclohexane-1-carboxylate Openeye Name: 2,2,2-trifluoroethyl (1R,2S)-2-[2-(1-adamantyloxy)ethylcarbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[2-(1-adamantyloxy)ethylamino]-oxomethyl]-1-cyclohexanecarboxylic acid 2,2,2-trifluoroethyl ester IUPAC Name: 2,2,2-trifluoroethyl (1R,2S)-2-[2-(1-adamantyloxy)ethylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[2-(1-adamantyloxy)ethylcarbamoyl]cyclohexanecarboxylic acid 2,2,2-trifluoroethyl ester Formula: C22H32F3NO4 MolecularWeight: 431.48899

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCCOC23CC4CC(C2)CC(C4)C3)C(=O)OCC(F)(F)F

Isomeric SMILES

C1CC[C@H]([C@H](C1)C(=O)NCCOC23CC4CC(C2)CC(C4)C3)C(=O)OCC(F)(F)F

InChI

InChI=1S/C22H32F3NO4/c23-22(24,25)13-29-20(28)18-4-2-1-3-17(18)19(27)26-5-6-30-21-10-14-7-15(11-21)9-16(8-14)12-21/h14-18H,1-13H2,(H,26,27)/t14?,15?,16?,17-,18+,21?/m0/s1