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

Systemtic Name: [2-(trifluoromethyl)phenyl]methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [2-(trifluoromethyl)phenyl]methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [2-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [2-(trifluoromethyl)phenyl]methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [2-(trifluoromethyl)benzyl] ester Formula: C19H21F3O3 MolecularWeight: 354.36345

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21F3O3/c20-19(21,22)15-4-2-1-3-14(15)10-25-16(23)17-6-12-5-13(7-17)9-18(24,8-12)11-17/h1-4,12-13,24H,5-11H2/t12-,13+,17?,18?