tert-butyl 2-[(4-fluorophenyl)-oxidanyl-methyl]-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: tert-butyl 2-[(4-fluorophenyl)-oxidanyl-methyl]-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl 2-[(4-fluorophenyl)-hydroxy-methyl]-3-oxo-piperazine-1-carboxylate CAS Name: 2-[(4-fluorophenyl)-hydroxymethyl]-3-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4-fluorophenyl)-hydroxymethyl]-3-oxopiperazine-1-carboxylate Traditional Name: 2-[(4-fluorophenyl)-hydroxy-methyl]-3-keto-piperazine-1-carboxylic acid tert-butyl ester Formula: C16H21FN2O4 MolecularWeight: 324.347343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCNC(=O)C1C(C2=CC=C(C=C2)F)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCNC(=O)C1C(C2=CC=C(C=C2)F)O

InChI

InChI=1S/C16H21FN2O4/c1-16(2,3)23-15(22)19-9-8-18-14(21)12(19)13(20)10-4-6-11(17)7-5-10/h4-7,12-13,20H,8-9H2,1-3H3,(H,18,21)