tert-butyl 4-[2-fluoranyl-4-[2-methyl-2,3-bis(oxidanyl)propoxy]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-fluoranyl-4-[2-methyl-2,3-bis(oxidanyl)propoxy]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(2,3-dihydroxy-2-methyl-propoxy)-2-fluoro-phenyl]piperazine-1-carboxylate CAS Name: 4-[4-(2,3-dihydroxy-2-methylpropoxy)-2-fluorophenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(2,3-dihydroxy-2-methylpropoxy)-2-fluorophenyl]piperazine-1-carboxylate Traditional Name: 4-[4-(2,3-dihydroxy-2-methyl-propoxy)-2-fluoro-phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H29FN2O5 MolecularWeight: 384.442363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)OCC(C)(CO)O)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)OCC(C)(CO)O)F

InChI

InChI=1S/C19H29FN2O5/c1-18(2,3)27-17(24)22-9-7-21(8-10-22)16-6-5-14(11-15(16)20)26-13-19(4,25)12-23/h5-6,11,23,25H,7-10,12-13H2,1-4H3