[(2R)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 2-(4-fluorophenyl)ethanoate

Systemtic Name: [(2R)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 2-(4-fluorophenyl)ethanoate Openeye Name: [(1R)-2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 2-(4-fluorophenyl)acetate CAS Name: 2-(4-fluorophenyl)acetic acid [(2R)-1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantyl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate Traditional Name: 2-(4-fluorophenyl)acetic acid [(1R)-2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C21H25FO3 MolecularWeight: 344.419803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)CC4=CC=C(C=C4)F

Isomeric SMILES

C[C@H](C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)CC4=CC=C(C=C4)F

InChI

InChI=1S/C21H25FO3/c1-13(25-19(23)9-14-2-4-18(22)5-3-14)20(24)21-10-15-6-16(11-21)8-17(7-15)12-21/h2-5,13,15-17H,6-12H2,1H3/t13-,15?,16?,17?,21?/m1/s1