[2-(trifluoromethyl)phenyl]methyl (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-(trifluoromethyl)phenyl]methyl (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: [2-(trifluoromethyl)phenyl]methyl (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid [2-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [2-(trifluoromethyl)phenyl]methyl (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid [2-(trifluoromethyl)benzyl] ester Formula: C19H20BrF3O2 MolecularWeight: 417.26011

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)C(=O)OCC4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C19H20BrF3O2/c20-18-8-12-5-13(9-18)7-17(6-12,11-18)16(24)25-10-14-3-1-2-4-15(14)19(21,22)23/h1-4,12-13H,5-11H2/t12-,13+,17?,18?