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3-[[2,4-bis(fluoranyl)phenyl]methyl]piperazine-1,3-dicarboxylic acid

3-[[2,4-bis(fluoranyl)phenyl]methyl]piperazine-1,3-dicarboxylic acid

Systemtic Name:3-[[2,4-bis(fluoranyl)phenyl]methyl]piperazine-1,3-dicarboxylic acid
Openeye Name:3-[(2,4-difluorophenyl)methyl]piperazine-1,3-dicarboxylic acid
CAS Name:3-[(2,4-difluorophenyl)methyl]piperazine-1,3-dicarboxylic acid
IUPAC Name:3-[(2,4-difluorophenyl)methyl]piperazine-1,3-dicarboxylic acid
Traditional Name:3-(2,4-difluorobenzyl)piperazine-1,3-dicarboxylic acid
Formula: C13H14F2N2O4
MolecularWeight: 300.258066
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)(CC2=C(C=C(C=C2)F)F)C(=O)O)C(=O)O


Isomeric SMILES

C1CN(CC(N1)(CC2=C(C=C(C=C2)F)F)C(=O)O)C(=O)O


InChI

InChI=1S/C13H14F2N2O4/c14-9-2-1-8(10(15)5-9)6-13(11(18)19)7-17(12(20)21)4-3-16-13/h1-2,5,16H,3-4,6-7H2,(H,18,19)(H,20,21)


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