(3-chlorophenyl) (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: (3-chlorophenyl) (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: (3-chlorophenyl) (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid (3-chlorophenyl) ester IUPAC Name: (3-chlorophenyl) (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid (3-chlorophenyl) ester Formula: C17H18BrClO2 MolecularWeight: 369.68062

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OC4=CC(=CC=C4)Cl

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)C(=O)OC4=CC(=CC=C4)Cl

InChI

InChI=1S/C17H18BrClO2/c18-17-8-11-4-12(9-17)7-16(6-11,10-17)15(20)21-14-3-1-2-13(19)5-14/h1-3,5,11-12H,4,6-10H2/t11-,12+,16?,17?