[1-oxidanylidene-1-[[2-(trifluoromethyl)phenyl]amino]propan-2-yl] adamantane-1-carboxylate

Systemtic Name: [1-oxidanylidene-1-[[2-(trifluoromethyl)phenyl]amino]propan-2-yl] adamantane-1-carboxylate Openeye Name: [1-methyl-2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-keto-1-methyl-2-[2-(trifluoromethyl)anilino]ethyl] ester Formula: C21H24F3NO3 MolecularWeight: 395.41537

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(F)(F)F)OC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(F)(F)F)OC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H24F3NO3/c1-12(18(26)25-17-5-3-2-4-16(17)21(22,23)24)28-19(27)20-9-13-6-14(10-20)8-15(7-13)11-20/h2-5,12-15H,6-11H2,1H3,(H,25,26)