(E)-but-2-enedioic acid; (NZ)-N-(4-methylmorpholin-3-ylidene)-N'-phenyl-pyrrolidine-1-carboximidamide

Systemtic Name: (E)-but-2-enedioic acid; (NZ)-N-(4-methylmorpholin-3-ylidene)-N'-phenyl-pyrrolidine-1-carboximidamide Openeye Name: fumaric acid; (NZ)-N-(4-methylmorpholin-3-ylidene)-N'-phenyl-pyrrolidine-1-carboxamidine CAS Name: (E)-2-butenedioic acid; (NZ)-N-(4-methyl-3-morpholinylidene)-N'-phenyl-1-pyrrolidinecarboximidamide IUPAC Name: (E)-but-2-enedioic acid; (NZ)-N-(4-methylmorpholin-3-ylidene)-N'-phenylpyrrolidine-1-carboximidamide Traditional Name: fumaric acid; (NZ)-N-(4-methylmorpholin-3-ylidene)-N'-phenyl-pyrrolidine-1-carboxamidine Formula: C20H26N4O5 MolecularWeight: 402.44424

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCOCC1=NC(=NC2=CC=CC=C2)N3CCCC3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN\1CCOC/C1=N/C(=NC2=CC=CC=C2)N3CCCC3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H22N4O.C4H4O4/c1-19-11-12-21-13-15(19)18-16(20-9-5-6-10-20)17-14-7-3-2-4-8-14;5-3(6)1-2-4(7)8/h2-4,7-8H,5-6,9-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b17-16?,18-15-;2-1+