(2-chloranyl-6-fluoranyl-phenyl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7R)-3-acetamido-1-adamantanecarboxylic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid (2-chloro-6-fluoro-benzyl) ester Formula: C20H23ClFNO3 MolecularWeight: 379.852923

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC4=C(C=CC=C4Cl)F

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)OCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C20H23ClFNO3/c1-12(24)23-20-8-13-5-14(9-20)7-19(6-13,11-20)18(25)26-10-15-16(21)3-2-4-17(15)22/h2-4,13-14H,5-11H2,1H3,(H,23,24)/t13-,14+,19?,20?