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

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C20H25FO4 MolecularWeight: 348.408503

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)CC23CC4CC(C2)CC(C4)(C3)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)O)F

InChI

InChI=1S/C20H25FO4/c1-24-17-3-2-13(5-16(17)21)11-25-18(22)10-19-6-14-4-15(7-19)9-20(23,8-14)12-19/h2-3,5,14-15,23H,4,6-12H2,1H3/t14-,15+,19?,20?