(5S,7R)-3-(2-fluoranyl-4-methoxy-phenyl)adamantane-1-carboxylate

Systemtic Name: (5S,7R)-3-(2-fluoranyl-4-methoxy-phenyl)adamantane-1-carboxylate Openeye Name: (5S,7R)-3-(2-fluoro-4-methoxy-phenyl)adamantane-1-carboxylate CAS Name: (5S,7R)-3-(2-fluoro-4-methoxyphenyl)-1-adamantanecarboxylate IUPAC Name: (5S,7R)-3-(2-fluoro-4-methoxyphenyl)adamantane-1-carboxylate Traditional Name: (5S,7R)-3-(2-fluoro-4-methoxy-phenyl)adamantane-1-carboxylate Formula: C18H20FO3- MolecularWeight: 303.348003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)[O-])F

Isomeric SMILES

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

InChI

InChI=1S/C18H21FO3/c1-22-13-2-3-14(15(19)5-13)17-6-11-4-12(7-17)9-18(8-11,10-17)16(20)21/h2-3,5,11-12H,4,6-10H2,1H3,(H,20,21)/p-1/t11-,12+,17?,18?