1-adamantyl (1S,2R)-2-oxidanyl-2-phenyl-cyclopent-3-ene-1-carboxylate

Systemtic Name: 1-adamantyl (1S,2R)-2-oxidanyl-2-phenyl-cyclopent-3-ene-1-carboxylate Openeye Name: 1-adamantyl (1S,2R)-2-hydroxy-2-phenyl-cyclopent-3-ene-1-carboxylate CAS Name: (1S,2R)-2-hydroxy-2-phenyl-1-cyclopent-3-enecarboxylic acid 1-adamantyl ester IUPAC Name: 1-adamantyl (1S,2R)-2-hydroxy-2-phenylcyclopent-3-ene-1-carboxylate Traditional Name: (1S,2R)-2-hydroxy-2-phenyl-cyclopent-3-ene-1-carboxylic acid 1-adamantyl ester Formula: C22H26O3 MolecularWeight: 338.44004

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(C1C(=O)OC23CC4CC(C2)CC(C4)C3)(C5=CC=CC=C5)O

Isomeric SMILES

C1C=C[C@@]([C@H]1C(=O)OC23CC4CC(C2)CC(C4)C3)(C5=CC=CC=C5)O

InChI

InChI=1S/C22H26O3/c23-20(19-7-4-8-22(19,24)18-5-2-1-3-6-18)25-21-12-15-9-16(13-21)11-17(10-15)14-21/h1-6,8,15-17,19,24H,7,9-14H2/t15?,16?,17?,19-,21?,22+/m1/s1