methyl (5S,7R)-3-[4-(2-bromanyl-2-methyl-propanoyl)phenyl]adamantane-1-carboxylate

Systemtic Name: methyl (5S,7R)-3-[4-(2-bromanyl-2-methyl-propanoyl)phenyl]adamantane-1-carboxylate Openeye Name: methyl (5S,7R)-3-[4-(2-bromo-2-methyl-propanoyl)phenyl]adamantane-1-carboxylate CAS Name: (5S,7R)-3-[4-(2-bromo-2-methyl-1-oxopropyl)phenyl]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl (5S,7R)-3-[4-(2-bromo-2-methylpropanoyl)phenyl]adamantane-1-carboxylate Traditional Name: (5S,7R)-3-[4-(2-bromo-2-methyl-propanoyl)phenyl]adamantane-1-carboxylic acid methyl ester Formula: C22H27BrO3 MolecularWeight: 419.35198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C(=O)C1=CC=C(C=C1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)C(=O)OC)Br

InChI

InChI=1S/C22H27BrO3/c1-20(2,23)18(24)16-4-6-17(7-5-16)21-9-14-8-15(10-21)12-22(11-14,13-21)19(25)26-3/h4-7,14-15H,8-13H2,1-3H3/t14-,15+,21?,22?