tert-butyl 4-[4-(3-ethoxy-3-oxidanylidene-propanoyl)-2,5-bis(fluoranyl)phenyl]-2-methyl-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(3-ethoxy-3-oxidanylidene-propanoyl)-2,5-bis(fluoranyl)phenyl]-2-methyl-piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(3-ethoxy-3-oxo-propanoyl)-2,5-difluoro-phenyl]-2-methyl-piperazine-1-carboxylate CAS Name: 4-[4-(3-ethoxy-1,3-dioxopropyl)-2,5-difluorophenyl]-2-methyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(3-ethoxy-3-oxopropanoyl)-2,5-difluorophenyl]-2-methylpiperazine-1-carboxylate Traditional Name: 4-[4-(3-ethoxy-3-keto-propanoyl)-2,5-difluoro-phenyl]-2-methyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C21H28F2N2O5 MolecularWeight: 426.454226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)C1=CC(=C(C=C1F)N2CCN(C(C2)C)C(=O)OC(C)(C)C)F

Isomeric SMILES

CCOC(=O)CC(=O)C1=CC(=C(C=C1F)N2CCN(C(C2)C)C(=O)OC(C)(C)C)F

InChI

InChI=1S/C21H28F2N2O5/c1-6-29-19(27)11-18(26)14-9-16(23)17(10-15(14)22)24-7-8-25(13(2)12-24)20(28)30-21(3,4)5/h9-10,13H,6-8,11-12H2,1-5H3