(2-chloranyl-6-fluoranyl-phenyl)methyl 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid (2-chloro-6-fluoro-benzyl) ester Formula: C19H22ClFO3 MolecularWeight: 352.827583

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)CC(=O)OCC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)CC(=O)OCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C19H22ClFO3/c20-15-2-1-3-16(21)14(15)10-24-17(22)9-18-5-12-4-13(6-18)8-19(23,7-12)11-18/h1-3,12-13,23H,4-11H2/t12-,13+,18?,19?