(4-bromanyl-2-fluoranyl-phenyl)methyl (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid (4-bromo-2-fluoro-benzyl) ester Formula: C18H19BrClFO2 MolecularWeight: 401.697663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrClFO2/c19-14-2-1-13(15(21)4-14)9-23-16(22)17-5-11-3-12(6-17)8-18(20,7-11)10-17/h1-2,4,11-12H,3,5-10H2/t11-,12+,17?,18?