[2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 2-[(3-chloranyl-1-adamantyl)carbonylamino]ethanoate

Systemtic Name: [2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 2-[(3-chloranyl-1-adamantyl)carbonylamino]ethanoate Openeye Name: [2-(4-acetamido-2-fluoro-phenyl)-2-oxo-ethyl] 2-[(3-chloroadamantane-1-carbonyl)amino]acetate CAS Name: 2-[[(3-chloro-1-adamantyl)-oxomethyl]amino]acetic acid [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2-[(3-chloroadamantane-1-carbonyl)amino]acetate Traditional Name: 2-[(3-chloroadamantane-1-carbonyl)amino]acetic acid [2-(4-acetamido-2-fluoro-phenyl)-2-keto-ethyl] ester Formula: C23H26ClFN2O5 MolecularWeight: 464.914343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClFN2O5/c1-13(28)27-16-2-3-17(18(25)5-16)19(29)11-32-20(30)10-26-21(31)22-6-14-4-15(7-22)9-23(24,8-14)12-22/h2-3,5,14-15H,4,6-12H2,1H3,(H,26,31)(H,27,28)