(4-chloranylnaphthalen-1-yl) (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: (4-chloranylnaphthalen-1-yl) (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: (4-chloro-1-naphthyl) (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid (4-chloro-1-naphthalenyl) ester IUPAC Name: (4-chloronaphthalen-1-yl) (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid (4-chloro-1-naphthyl) ester Formula: C21H20BrClO2 MolecularWeight: 419.7393

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OC4=CC=C(C5=CC=CC=C54)Cl

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)C(=O)OC4=CC=C(C5=CC=CC=C54)Cl

InChI

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