(E)-but-2-enedioic acid; (2-fluoranyl-5-propoxy-phenyl)methyl piperazine-1-carboxylate

Systemtic Name: (E)-but-2-enedioic acid; (2-fluoranyl-5-propoxy-phenyl)methyl piperazine-1-carboxylate Openeye Name: (2-fluoro-5-propoxy-phenyl)methyl piperazine-1-carboxylate; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-piperazinecarboxylic acid (2-fluoro-5-propoxyphenyl)methyl ester IUPAC Name: (E)-but-2-enedioic acid; (2-fluoro-5-propoxyphenyl)methyl piperazine-1-carboxylate Traditional Name: fumaric acid; piperazine-1-carboxylic acid (2-fluoro-5-propoxy-benzyl) ester Formula: C19H25FN2O7 MolecularWeight: 412.409403

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)F)COC(=O)N2CCNCC2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCOC1=CC(=C(C=C1)F)COC(=O)N2CCNCC2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H21FN2O3.C4H4O4/c1-2-9-20-13-3-4-14(16)12(10-13)11-21-15(19)18-7-5-17-6-8-18;5-3(6)1-2-4(7)8/h3-4,10,17H,2,5-9,11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+