(2-bromophenyl)methyl (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: (2-bromophenyl)methyl (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: (2-bromophenyl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid (2-bromophenyl)methyl ester IUPAC Name: (2-bromophenyl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid (2-bromobenzyl) ester Formula: C18H20BrClO2 MolecularWeight: 383.7072

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCC4=CC=CC=C4Br

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Cl)C(=O)OCC4=CC=CC=C4Br

InChI

InChI=1S/C18H20BrClO2/c19-15-4-2-1-3-14(15)10-22-16(21)17-6-12-5-13(7-17)9-18(20,8-12)11-17/h1-4,12-13H,5-11H2/t12-,13+,17?,18?