methyl 3-bromanyl-5-methyl-adamantane-1-carboxylate

Systemtic Name: methyl 3-bromanyl-5-methyl-adamantane-1-carboxylate Openeye Name: methyl 3-bromo-5-methyl-adamantane-1-carboxylate CAS Name: 3-bromo-5-methyl-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3-bromo-5-methyladamantane-1-carboxylate Traditional Name: 3-bromo-5-methyl-adamantane-1-carboxylic acid methyl ester Formula: C13H19BrO2 MolecularWeight: 287.19276

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)Br)C(=O)OC

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)Br)C(=O)OC

InChI

InChI=1S/C13H19BrO2/c1-11-3-9-4-12(6-11,10(15)16-2)8-13(14,5-9)7-11/h9H,3-8H2,1-2H3