[4-(4-fluorophenyl)-4-oxidanylidene-butyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C21H25FO4 MolecularWeight: 360.419203

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCCCC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)C(=O)OCCCC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H25FO4/c22-17-5-3-16(4-6-17)18(23)2-1-7-26-19(24)20-9-14-8-15(10-20)12-21(25,11-14)13-20/h3-6,14-15,25H,1-2,7-13H2/t14-,15+,20?,21?