[2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate

Systemtic Name: [2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate Openeye Name: [2-(4-acetamido-2-fluoro-phenyl)-2-oxo-ethyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate CAS Name: 1-[1-adamantyl(oxo)methyl]-2-pyrrolidinecarboxylic acid [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate Traditional Name: 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylic acid [2-(4-acetamido-2-fluoro-phenyl)-2-keto-ethyl] ester Formula: C26H31FN2O5 MolecularWeight: 470.533143

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C(=O)COC(=O)C2CCCN2C(=O)C34CC5CC(C3)CC(C5)C4)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C(=O)COC(=O)C2CCCN2C(=O)C34CC5CC(C3)CC(C5)C4)F

InChI

InChI=1S/C26H31FN2O5/c1-15(30)28-19-4-5-20(21(27)10-19)23(31)14-34-24(32)22-3-2-6-29(22)25(33)26-11-16-7-17(12-26)9-18(8-16)13-26/h4-5,10,16-18,22H,2-3,6-9,11-14H2,1H3,(H,28,30)