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

Systemtic Name: [2-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]amino]ethyl] 3-bromanyladamantane-1-carboxylate Openeye Name: [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid [2-keto-2-[4-(trifluoromethyl)anilino]ethyl] ester Formula: C20H21BrF3NO3 MolecularWeight: 460.28485

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC(=O)NC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC(=O)NC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C20H21BrF3NO3/c21-19-8-12-5-13(9-19)7-18(6-12,11-19)17(27)28-10-16(26)25-15-3-1-14(2-4-15)20(22,23)24/h1-4,12-13H,5-11H2,(H,25,26)