[2-(acetyloxymethyl)-4-(2-bromanylethanoyl)phenyl] adamantane-1-carboxylate

Systemtic Name: [2-(acetyloxymethyl)-4-(2-bromanylethanoyl)phenyl] adamantane-1-carboxylate Openeye Name: [2-(acetoxymethyl)-4-(2-bromoacetyl)phenyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-(acetyloxymethyl)-4-(2-bromo-1-oxoethyl)phenyl] ester IUPAC Name: [2-(acetyloxymethyl)-4-(2-bromoacetyl)phenyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-(acetoxymethyl)-4-(2-bromoacetyl)phenyl] ester Formula: C22H25BrO5 MolecularWeight: 449.3349

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(C=CC(=C1)C(=O)CBr)OC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(=O)OCC1=C(C=CC(=C1)C(=O)CBr)OC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H25BrO5/c1-13(24)27-12-18-7-17(19(25)11-23)2-3-20(18)28-21(26)22-8-14-4-15(9-22)6-16(5-14)10-22/h2-3,7,14-16H,4-6,8-12H2,1H3