ethyl 4-[3-[4-bromanyl-2,6-bis(fluoranyl)phenoxy]-2-oxidanyl-propyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[4-bromanyl-2,6-bis(fluoranyl)phenoxy]-2-oxidanyl-propyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(4-bromo-2,6-difluoro-phenoxy)-2-hydroxy-propyl]piperazine-1-carboxylate CAS Name: 4-[3-(4-bromo-2,6-difluorophenoxy)-2-hydroxypropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-bromo-2,6-difluorophenoxy)-2-hydroxypropyl]piperazine-1-carboxylate Traditional Name: 4-[3-(4-bromo-2,6-difluoro-phenoxy)-2-hydroxy-propyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H21BrF2N2O4 MolecularWeight: 423.249746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC(COC2=C(C=C(C=C2F)Br)F)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC(COC2=C(C=C(C=C2F)Br)F)O

InChI

InChI=1S/C16H21BrF2N2O4/c1-2-24-16(23)21-5-3-20(4-6-21)9-12(22)10-25-15-13(18)7-11(17)8-14(15)19/h7-8,12,22H,2-6,9-10H2,1H3