4-[[2-[bis(fluoranyl)methoxy]phenyl]methyl]-2-ethyl-piperazine-1-carboxylate; (E)-but-2-enedioate

Systemtic Name: 4-[[2-[bis(fluoranyl)methoxy]phenyl]methyl]-2-ethyl-piperazine-1-carboxylate; (E)-but-2-enedioate Openeye Name: (E)-but-2-enedioate; 4-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-piperazine-1-carboxylate CAS Name: (E)-2-butenedioate; 4-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-1-piperazinecarboxylate IUPAC Name: (E)-but-2-enedioate; 4-[[2-(difluoromethoxy)phenyl]methyl]-2-ethylpiperazine-1-carboxylate Traditional Name: 4-[2-(difluoromethoxy)benzyl]-2-ethyl-piperazine-1-carboxylate fumarate Formula: C19H21F2N2O7-3 MolecularWeight: 427.376046

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCN1C(=O)[O-])CC2=CC=CC=C2OC(F)F.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC1CN(CCN1C(=O)[O-])CC2=CC=CC=C2OC(F)F.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C15H20F2N2O3.C4H4O4/c1-2-12-10-18(7-8-19(12)15(20)21)9-11-5-3-4-6-13(11)22-14(16)17;5-3(6)1-2-4(7)8/h3-6,12,14H,2,7-10H2,1H3,(H,20,21);1-2H,(H,5,6)(H,7,8)/p-3/b;2-1+