(3,4-dichlorophenyl)methyl (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: (3,4-dichlorophenyl)methyl (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: (3,4-dichlorophenyl)methyl (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid (3,4-dichlorophenyl)methyl ester IUPAC Name: (3,4-dichlorophenyl)methyl (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid (3,4-dichlorobenzyl) ester Formula: C18H19BrCl2O2 MolecularWeight: 418.15226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrCl2O2/c19-18-7-12-3-13(8-18)6-17(5-12,10-18)16(22)23-9-11-1-2-14(20)15(21)4-11/h1-2,4,12-13H,3,5-10H2/t12-,13+,17?,18?