[4-(4-fluorophenyl)carbonylphenyl] 2-(3-bromanyl-1-adamantyl)ethanoate

Systemtic Name: [4-(4-fluorophenyl)carbonylphenyl] 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: [4-(4-fluorobenzoyl)phenyl] 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid [4-[(4-fluorophenyl)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-fluorobenzoyl)phenyl] 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid [4-(4-fluorobenzoyl)phenyl] ester Formula: C25H24BrFO3 MolecularWeight: 471.358663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OC4=CC=C(C=C4)C(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OC4=CC=C(C=C4)C(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H24BrFO3/c26-25-12-16-9-17(13-25)11-24(10-16,15-25)14-22(28)30-21-7-3-19(4-8-21)23(29)18-1-5-20(27)6-2-18/h1-8,16-17H,9-15H2