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

Systemtic Name: tert-butyl 4-[2-fluoranyl-4-(phenylmethoxycarbonylamino)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(benzyloxycarbonylamino)-2-fluoro-phenyl]piperazine-1-carboxylate CAS Name: 4-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-(benzyloxycarbonylamino)-2-fluoro-phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H28FN3O4 MolecularWeight: 429.484523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)OCC3=CC=CC=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)OCC3=CC=CC=C3)F

InChI

InChI=1S/C23H28FN3O4/c1-23(2,3)31-22(29)27-13-11-26(12-14-27)20-10-9-18(15-19(20)24)25-21(28)30-16-17-7-5-4-6-8-17/h4-10,15H,11-14,16H2,1-3H3,(H,25,28)