[2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 3-chloranyladamantane-1-carboxylate

Systemtic Name: [2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 3-chloranyladamantane-1-carboxylate Openeye Name: [2-(4-acetamido-2-fluoro-phenyl)-2-oxo-ethyl] 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid [2-(4-acetamido-2-fluoro-phenyl)-2-keto-ethyl] ester Formula: C21H23ClFNO4 MolecularWeight: 407.863023

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Cl)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Cl)F

InChI

InChI=1S/C21H23ClFNO4/c1-12(25)24-15-2-3-16(17(23)5-15)18(26)10-28-19(27)20-6-13-4-14(7-20)9-21(22,8-13)11-20/h2-3,5,13-14H,4,6-11H2,1H3,(H,24,25)