(4-cyano-2-fluoranyl-phenyl)methyl 3-oxidanyladamantane-1-carboxylate

Systemtic Name: (4-cyano-2-fluoranyl-phenyl)methyl 3-oxidanyladamantane-1-carboxylate Openeye Name: (4-cyano-2-fluoro-phenyl)methyl 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid (4-cyano-2-fluorophenyl)methyl ester IUPAC Name: (4-cyano-2-fluorophenyl)methyl 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid (4-cyano-2-fluoro-benzyl) ester Formula: C19H20FNO3 MolecularWeight: 329.365403

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC4=C(C=C(C=C4)C#N)F

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC4=C(C=C(C=C4)C#N)F

InChI

InChI=1S/C19H20FNO3/c20-16-4-12(9-21)1-2-15(16)10-24-17(22)18-5-13-3-14(6-18)8-19(23,7-13)11-18/h1-2,4,13-14,23H,3,5-8,10-11H2