(4-ethanoylphenyl) 2-(3-bromanyl-1-adamantyl)ethanoate

Systemtic Name: (4-ethanoylphenyl) 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: (4-acetylphenyl) 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid (4-acetylphenyl) ester Formula: C20H23BrO3 MolecularWeight: 391.29882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

InChI

InChI=1S/C20H23BrO3/c1-13(22)16-2-4-17(5-3-16)24-18(23)11-19-7-14-6-15(8-19)10-20(21,9-14)12-19/h2-5,14-15H,6-12H2,1H3