phenacyl 2-(3-bromanyl-1-adamantyl)ethanoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H23BrO3/c21-20-9-14-6-15(10-20)8-19(7-14,13-20)11-18(23)24-12-17(22)16-4-2-1-3-5-16/h1-5,14-15H,6-13H2