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

Systemtic Name: naphthalen-1-ylmethyl (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: 1-naphthylmethyl (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid 1-naphthylmethyl ester Formula: C22H23BrO2 MolecularWeight: 399.32082

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)C(=O)OCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C22H23BrO2/c23-22-11-15-8-16(12-22)10-21(9-15,14-22)20(24)25-13-18-6-3-5-17-4-1-2-7-19(17)18/h1-7,15-16H,8-14H2/t15-,16+,21?,22?