[2-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]amino]ethyl] 3-acetamidoadamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]amino]ethyl] 3-acetamidoadamantane-1-carboxylate Openeye Name: [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid [2-keto-2-[4-(trifluoromethyl)anilino]ethyl] ester Formula: C22H25F3N2O4 MolecularWeight: 438.44011

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)NC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)NC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C22H25F3N2O4/c1-13(28)27-21-9-14-6-15(10-21)8-20(7-14,12-21)19(30)31-11-18(29)26-17-4-2-16(3-5-17)22(23,24)25/h2-5,14-15H,6-12H2,1H3,(H,26,29)(H,27,28)