ethanedioate; ethyl 4-[[2,4-bis(fluoranyl)phenyl]methyl]piperazine-1-carboxylate

Systemtic Name: ethanedioate; ethyl 4-[[2,4-bis(fluoranyl)phenyl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2,4-difluorophenyl)methyl]piperazine-1-carboxylate; oxalate CAS Name: 4-[(2,4-difluorophenyl)methyl]-1-piperazinecarboxylic acid ethyl ester; oxalate IUPAC Name: ethyl 4-[(2,4-difluorophenyl)methyl]piperazine-1-carboxylate; oxalate Traditional Name: 4-(2,4-difluorobenzyl)piperazine-1-carboxylic acid ethyl ester; oxalate Formula: C16H18F2N2O6-2 MolecularWeight: 372.320726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=C(C=C(C=C2)F)F.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=C(C=C(C=C2)F)F.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C14H18F2N2O2.C2H2O4/c1-2-20-14(19)18-7-5-17(6-8-18)10-11-3-4-12(15)9-13(11)16;3-1(4)2(5)6/h3-4,9H,2,5-8,10H2,1H3;(H,3,4)(H,5,6)/p-2