[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-(4-bromophenyl)ethanoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-(4-bromophenyl)ethanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-(4-bromophenyl)acetate CAS Name: 2-(4-bromophenyl)acetic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-(4-bromophenyl)acetate Traditional Name: 2-(4-bromophenyl)acetic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C20H23BrO3 MolecularWeight: 391.29882

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)CC4=CC=C(C=C4)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)CC4=CC=C(C=C4)Br

InChI

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