(3-fluoranyl-4-methoxy-phenyl)methyl (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C19H22ClFO3 MolecularWeight: 352.827583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClFO3/c1-23-16-3-2-12(5-15(16)21)10-24-17(22)18-6-13-4-14(7-18)9-19(20,8-13)11-18/h2-3,5,13-14H,4,6-11H2,1H3/t13-,14+,18?,19?