[2-(trifluoromethyl)phenyl]methyl 3-acetamidoadamantane-1-carboxylate

Systemtic Name: [2-(trifluoromethyl)phenyl]methyl 3-acetamidoadamantane-1-carboxylate Openeye Name: [2-(trifluoromethyl)phenyl]methyl 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid [2-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [2-(trifluoromethyl)phenyl]methyl 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid [2-(trifluoromethyl)benzyl] ester Formula: C21H24F3NO3 MolecularWeight: 395.41537

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC4=CC=CC=C4C(F)(F)F

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC4=CC=CC=C4C(F)(F)F

InChI

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