(5-ethanoyl-2-methoxy-phenyl)methyl 2-(3-bromanyl-1-adamantyl)ethanoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C22H27BrO4 MolecularWeight: 435.35138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrO4/c1-14(24)17-3-4-19(26-2)18(6-17)12-27-20(25)11-21-7-15-5-16(8-21)10-22(23,9-15)13-21/h3-4,6,15-16H,5,7-13H2,1-2H3