(2-bromanyl-4-fluoranyl-phenyl)methyl 1-(1-adamantylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: (2-bromanyl-4-fluoranyl-phenyl)methyl 1-(1-adamantylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: (2-bromo-4-fluoro-phenyl)methyl 1-(adamantane-1-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: 1-[1-adamantyl(oxo)methyl]-4-hydroxy-2-pyrrolidinecarboxylic acid (2-bromo-4-fluorophenyl)methyl ester IUPAC Name: (2-bromo-4-fluorophenyl)methyl 1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate Traditional Name: 1-(adamantane-1-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylic acid (2-bromo-4-fluoro-benzyl) ester Formula: C23H27BrFNO4 MolecularWeight: 480.367183

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)N4CC(CC4C(=O)OCC5=C(C=C(C=C5)F)Br)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)N4CC(CC4C(=O)OCC5=C(C=C(C=C5)F)Br)O

InChI

InChI=1S/C23H27BrFNO4/c24-19-6-17(25)2-1-16(19)12-30-21(28)20-7-18(27)11-26(20)22(29)23-8-13-3-14(9-23)5-15(4-13)10-23/h1-2,6,13-15,18,20,27H,3-5,7-12H2