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

Systemtic Name: tert-butyl 4-[3-bromanyl-5-(1-fluoroethyloxy)phenyl]-2-(1-hydroxyethyl)-5-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-bromo-5-(1-fluoroethoxy)phenyl]-2-(1-hydroxyethyl)-5-oxo-piperazine-1-carboxylate CAS Name: 4-[3-bromo-5-(1-fluoroethoxy)phenyl]-2-(1-hydroxyethyl)-5-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-bromo-5-(1-fluoroethoxy)phenyl]-2-(1-hydroxyethyl)-5-oxopiperazine-1-carboxylate Traditional Name: 4-[3-bromo-5-(1-fluoroethoxy)phenyl]-2-(1-hydroxyethyl)-5-keto-piperazine-1-carboxylic acid tert-butyl ester Formula: C19H26BrFN2O5 MolecularWeight: 461.322543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CN(C(=O)CN1C(=O)OC(C)(C)C)C2=CC(=CC(=C2)Br)OC(C)F)O

Isomeric SMILES

CC(C1CN(C(=O)CN1C(=O)OC(C)(C)C)C2=CC(=CC(=C2)Br)OC(C)F)O

InChI

InChI=1S/C19H26BrFN2O5/c1-11(24)16-9-22(14-6-13(20)7-15(8-14)27-12(2)21)17(25)10-23(16)18(26)28-19(3,4)5/h6-8,11-12,16,24H,9-10H2,1-5H3