2-(4-bromanylphenoxy)ethyl 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate

Systemtic Name: 2-(4-bromanylphenoxy)ethyl 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate Openeye Name: 2-(4-bromophenoxy)ethyl 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid 2-(4-bromophenoxy)ethyl ester IUPAC Name: 2-(4-bromophenoxy)ethyl 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid 2-(4-bromophenoxy)ethyl ester Formula: C20H25BrO4 MolecularWeight: 409.3141

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)CC(=O)OCCOC4=CC=C(C=C4)Br

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)CC(=O)OCCOC4=CC=C(C=C4)Br

InChI

InChI=1S/C20H25BrO4/c21-16-1-3-17(4-2-16)24-5-6-25-18(22)12-19-8-14-7-15(9-19)11-20(23,10-14)13-19/h1-4,14-15,23H,5-13H2/t14-,15+,19?,20?