tert-butyl 4-[4-(acetamidomethyl)-2-fluoranyl-phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(acetamidomethyl)-2-fluoranyl-phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(acetamidomethyl)-2-fluoro-phenyl]piperazine-1-carboxylate CAS Name: 4-[4-(acetamidomethyl)-2-fluorophenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(acetamidomethyl)-2-fluorophenyl]piperazine-1-carboxylate Traditional Name: 4-[4-(acetamidomethyl)-2-fluoro-phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H26FN3O3 MolecularWeight: 351.415743

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC(=C(C=C1)N2CCN(CC2)C(=O)OC(C)(C)C)F

Isomeric SMILES

CC(=O)NCC1=CC(=C(C=C1)N2CCN(CC2)C(=O)OC(C)(C)C)F

InChI

InChI=1S/C18H26FN3O3/c1-13(23)20-12-14-5-6-16(15(19)11-14)21-7-9-22(10-8-21)17(24)25-18(2,3)4/h5-6,11H,7-10,12H2,1-4H3,(H,20,23)