(E)-but-2-enedioic acid; N-(1,3-dimethylimidazolidin-2-ylidene)-N'-phenyl-pyrrolidine-1-carboximidamide

Systemtic Name: (E)-but-2-enedioic acid; N-(1,3-dimethylimidazolidin-2-ylidene)-N'-phenyl-pyrrolidine-1-carboximidamide Openeye Name: N-(1,3-dimethylimidazolidin-2-ylidene)-N'-phenyl-pyrrolidine-1-carboxamidine; fumaric acid CAS Name: (E)-2-butenedioic acid; N-(1,3-dimethyl-2-imidazolidinylidene)-N'-phenyl-1-pyrrolidinecarboximidamide IUPAC Name: (E)-but-2-enedioic acid; N-(1,3-dimethylimidazolidin-2-ylidene)-N'-phenylpyrrolidine-1-carboximidamide Traditional Name: N-(1,3-dimethylimidazolidin-2-ylidene)-N'-phenyl-pyrrolidine-1-carboxamidine; fumaric acid Formula: C20H27N5O4 MolecularWeight: 401.45948

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C1=NC(=NC2=CC=CC=C2)N3CCCC3)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(C1=NC(=NC2=CC=CC=C2)N3CCCC3)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H23N5.C4H4O4/c1-19-12-13-20(2)16(19)18-15(21-10-6-7-11-21)17-14-8-4-3-5-9-14;5-3(6)1-2-4(7)8/h3-5,8-9H,6-7,10-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+