[2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-(3-bromanyl-1-adamantyl)ethanoate

Systemtic Name: [2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: [2-(3-fluoro-4-methoxy-phenyl)-2-oxo-ethyl] 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid [2-(3-fluoro-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C21H24BrFO4 MolecularWeight: 439.315263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)CC23CC4CC(C2)CC(C4)(C3)Br)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)CC23CC4CC(C2)CC(C4)(C3)Br)F

InChI

InChI=1S/C21H24BrFO4/c1-26-18-3-2-15(5-16(18)23)17(24)11-27-19(25)10-20-6-13-4-14(7-20)9-21(22,8-13)12-20/h2-3,5,13-14H,4,6-12H2,1H3