(6-bromanylnaphthalen-2-yl) (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: (6-bromanylnaphthalen-2-yl) (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: (6-bromo-2-naphthyl) (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid (6-bromo-2-naphthalenyl) ester IUPAC Name: (6-bromonaphthalen-2-yl) (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid (6-bromo-2-naphthyl) ester Formula: C21H20BrClO2 MolecularWeight: 419.7393

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OC4=CC5=C(C=C4)C=C(C=C5)Br

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Cl)C(=O)OC4=CC5=C(C=C4)C=C(C=C5)Br

InChI

InChI=1S/C21H20BrClO2/c22-17-3-1-16-7-18(4-2-15(16)6-17)25-19(24)20-8-13-5-14(9-20)11-21(23,10-13)12-20/h1-4,6-7,13-14H,5,8-12H2/t13-,14+,20?,21?