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

Systemtic Name: (3-chlorophenyl)methyl (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: (3-chlorophenyl)methyl (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid (3-chlorophenyl)methyl ester IUPAC Name: (3-chlorophenyl)methyl (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid (3-chlorobenzyl) ester Formula: C18H20BrClO2 MolecularWeight: 383.7072

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC4=CC(=CC=C4)Cl

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)C(=O)OCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C18H20BrClO2/c19-18-8-13-4-14(9-18)7-17(6-13,11-18)16(21)22-10-12-2-1-3-15(20)5-12/h1-3,5,13-14H,4,6-11H2/t13-,14+,17?,18?