(4-bromanyl-2-fluoranyl-phenyl)methyl 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid (4-bromo-2-fluoro-benzyl) ester Formula: C19H22BrFO3 MolecularWeight: 397.278583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrFO3/c20-15-2-1-14(16(21)4-15)10-24-17(22)9-18-5-12-3-13(6-18)8-19(23,7-12)11-18/h1-2,4,12-13,23H,3,5-11H2/t12-,13+,18?,19?