(E)-but-2-enedioic acid; N'-(1-methylimidazol-2-yl)-N-phenyl-pyrrolidine-1-carboximidamide

Systemtic Name: (E)-but-2-enedioic acid; N'-(1-methylimidazol-2-yl)-N-phenyl-pyrrolidine-1-carboximidamide Openeye Name: fumaric acid; N'-(1-methylimidazol-2-yl)-N-phenyl-pyrrolidine-1-carboxamidine CAS Name: (E)-2-butenedioic acid; N'-(1-methyl-2-imidazolyl)-N-phenyl-1-pyrrolidinecarboximidamide IUPAC Name: (E)-but-2-enedioic acid; N'-(1-methylimidazol-2-yl)-N-phenylpyrrolidine-1-carboximidamide Traditional Name: fumaric acid; N'-(1-methylimidazol-2-yl)-N-phenyl-pyrrolidine-1-carboxamidine Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1N=C(NC2=CC=CC=C2)N3CCCC3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1C=CN=C1/N=C(\NC2=CC=CC=C2)/N3CCCC3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H19N5.C4H4O4/c1-19-12-9-16-14(19)18-15(20-10-5-6-11-20)17-13-7-3-2-4-8-13;5-3(6)1-2-4(7)8/h2-4,7-9,12H,5-6,10-11H2,1H3,(H,16,17,18);1-2H,(H,5,6)(H,7,8)/b;2-1+