[2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate

Systemtic Name: [2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate Openeye Name: [2-(4-fluorophenyl)-2-oxo-ethyl] 2-[(5S,7R)-3-bromo-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid [2-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-fluorophenyl)-2-oxoethyl] 2-[(5S,7R)-3-bromo-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid [2-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C20H22BrFO3 MolecularWeight: 409.289283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrFO3/c21-20-8-13-5-14(9-20)7-19(6-13,12-20)10-18(24)25-11-17(23)15-1-3-16(22)4-2-15/h1-4,13-14H,5-12H2/t13-,14+,19?,20?