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

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid [3-(trifluoromethyl)benzyl] ester Formula: C20H22BrF3O2 MolecularWeight: 431.28669

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OCC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OCC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C20H22BrF3O2/c21-19-8-14-4-15(9-19)7-18(6-14,12-19)10-17(25)26-11-13-2-1-3-16(5-13)20(22,23)24/h1-3,5,14-15H,4,6-12H2