[3-(trifluoromethyl)phenyl] 2-(3-bromanyl-1-adamantyl)ethanoate

Systemtic Name: [3-(trifluoromethyl)phenyl] 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: [3-(trifluoromethyl)phenyl] 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid [3-(trifluoromethyl)phenyl] ester IUPAC Name: [3-(trifluoromethyl)phenyl] 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid [3-(trifluoromethyl)phenyl] ester Formula: C19H20BrF3O2 MolecularWeight: 417.26011

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C19H20BrF3O2/c20-18-8-12-4-13(9-18)7-17(6-12,11-18)10-16(24)25-15-3-1-2-14(5-15)19(21,22)23/h1-3,5,12-13H,4,6-11H2