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

Systemtic Name: (5-fluoranyl-2-methoxy-phenyl)methyl (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: (5-fluoro-2-methoxy-phenyl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid (5-fluoro-2-methoxyphenyl)methyl ester IUPAC Name: (5-fluoro-2-methoxyphenyl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid (5-fluoro-2-methoxy-benzyl) ester Formula: C19H22ClFO3 MolecularWeight: 352.827583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)COC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)F)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl

InChI

InChI=1S/C19H22ClFO3/c1-23-16-3-2-15(21)5-14(16)10-24-17(22)18-6-12-4-13(7-18)9-19(20,8-12)11-18/h2-3,5,12-13H,4,6-11H2,1H3/t12-,13+,18?,19?