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

Systemtic Name: tert-butyl 4-[4-(2-chloroethyloxycarbonylamino)-2-fluoranyl-phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(2-chloroethoxycarbonylamino)-2-fluoro-phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[2-chloroethoxy(oxo)methyl]amino]-2-fluorophenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(2-chloroethoxycarbonylamino)-2-fluorophenyl]piperazine-1-carboxylate Traditional Name: 4-[4-(2-chloroethoxycarbonylamino)-2-fluoro-phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H25ClFN3O4 MolecularWeight: 401.860203

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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)OCCCl)F

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClFN3O4/c1-18(2,3)27-17(25)23-9-7-22(8-10-23)15-5-4-13(12-14(15)20)21-16(24)26-11-6-19/h4-5,12H,6-11H2,1-3H3,(H,21,24)