tert-butyl 4-[4-(1-ethoxy-2-methyl-1-oxidanylidene-propan-2-yl)oxy-2-fluoranyl-phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(1-ethoxy-2-methyl-1-oxidanylidene-propan-2-yl)oxy-2-fluoranyl-phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(2-ethoxy-1,1-dimethyl-2-oxo-ethoxy)-2-fluoro-phenyl]piperazine-1-carboxylate CAS Name: 4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxy-2-fluorophenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxy-2-fluorophenyl]piperazine-1-carboxylate Traditional Name: 4-[4-(2-ethoxy-2-keto-1,1-dimethyl-ethoxy)-2-fluoro-phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H31FN2O5 MolecularWeight: 410.479643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)OC1=CC(=C(C=C1)N2CCN(CC2)C(=O)OC(C)(C)C)F

Isomeric SMILES

CCOC(=O)C(C)(C)OC1=CC(=C(C=C1)N2CCN(CC2)C(=O)OC(C)(C)C)F

InChI

InChI=1S/C21H31FN2O5/c1-7-27-18(25)21(5,6)28-15-8-9-17(16(22)14-15)23-10-12-24(13-11-23)19(26)29-20(2,3)4/h8-9,14H,7,10-13H2,1-6H3