tert-butyl 4-[4-(3-ethoxy-3-oxidanylidene-propyl)-2-fluoranyl-phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(3-ethoxy-3-oxidanylidene-propyl)-2-fluoranyl-phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(3-ethoxy-3-oxo-propyl)-2-fluoro-phenyl]piperazine-1-carboxylate CAS Name: 4-[4-(3-ethoxy-3-oxopropyl)-2-fluorophenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(3-ethoxy-3-oxopropyl)-2-fluorophenyl]piperazine-1-carboxylate Traditional Name: 4-[4-(3-ethoxy-3-keto-propyl)-2-fluoro-phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H29FN2O4 MolecularWeight: 380.453663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC(=C(C=C1)N2CCN(CC2)C(=O)OC(C)(C)C)F

Isomeric SMILES

CCOC(=O)CCC1=CC(=C(C=C1)N2CCN(CC2)C(=O)OC(C)(C)C)F

InChI

InChI=1S/C20H29FN2O4/c1-5-26-18(24)9-7-15-6-8-17(16(21)14-15)22-10-12-23(13-11-22)19(25)27-20(2,3)4/h6,8,14H,5,7,9-13H2,1-4H3