tert-butyl 4-[3-(fluoranylmethyl)-5-iodanyl-phenyl]-2-(1-hydroxyethyl)-5-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(fluoranylmethyl)-5-iodanyl-phenyl]-2-(1-hydroxyethyl)-5-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(fluoromethyl)-5-iodo-phenyl]-2-(1-hydroxyethyl)-5-oxo-piperazine-1-carboxylate CAS Name: 4-[3-(fluoromethyl)-5-iodophenyl]-2-(1-hydroxyethyl)-5-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(fluoromethyl)-5-iodophenyl]-2-(1-hydroxyethyl)-5-oxopiperazine-1-carboxylate Traditional Name: 4-[3-(fluoromethyl)-5-iodo-phenyl]-2-(1-hydroxyethyl)-5-keto-piperazine-1-carboxylic acid tert-butyl ester Formula: C18H24FIN2O4 MolecularWeight: 478.297033

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CN(C(=O)CN1C(=O)OC(C)(C)C)C2=CC(=CC(=C2)CF)I)O

Isomeric SMILES

CC(C1CN(C(=O)CN1C(=O)OC(C)(C)C)C2=CC(=CC(=C2)CF)I)O

InChI

InChI=1S/C18H24FIN2O4/c1-11(23)15-9-21(14-6-12(8-19)5-13(20)7-14)16(24)10-22(15)17(25)26-18(2,3)4/h5-7,11,15,23H,8-10H2,1-4H3