[2-(1-adamantyl)-2-oxidanylidene-ethyl] 1-[4-(trifluoromethyl)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 1-[4-(trifluoromethyl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[4-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(trifluoromethyl)benzoyl]isonipecotic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C26H30F3NO4 MolecularWeight: 477.51591

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=C(C=C5)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=C(C=C5)C(F)(F)F

InChI

InChI=1S/C26H30F3NO4/c27-26(28,29)21-3-1-19(2-4-21)23(32)30-7-5-20(6-8-30)24(33)34-15-22(31)25-12-16-9-17(13-25)11-18(10-16)14-25/h1-4,16-18,20H,5-15H2