(2,6-dimethoxyphenyl) 2-(3-bromanyl-1-adamantyl)ethanoate

Systemtic Name: (2,6-dimethoxyphenyl) 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: (2,6-dimethoxyphenyl) 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid (2,6-dimethoxyphenyl) ester IUPAC Name: (2,6-dimethoxyphenyl) 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid (2,6-dimethoxyphenyl) ester Formula: C20H25BrO4 MolecularWeight: 409.3141

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)OC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

COC1=C(C(=CC=C1)OC)OC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

InChI

InChI=1S/C20H25BrO4/c1-23-15-4-3-5-16(24-2)18(15)25-17(22)11-19-7-13-6-14(8-19)10-20(21,9-13)12-19/h3-5,13-14H,6-12H2,1-2H3