(E)-but-2-enedioic acid; (NE)-N-(1-methylpyrrolidin-2-ylidene)-N'-phenyl-morpholine-4-carboximidamide

Systemtic Name: (E)-but-2-enedioic acid; (NE)-N-(1-methylpyrrolidin-2-ylidene)-N'-phenyl-morpholine-4-carboximidamide Openeye Name: fumaric acid; (NE)-N-(1-methylpyrrolidin-2-ylidene)-N'-phenyl-morpholine-4-carboxamidine CAS Name: (E)-2-butenedioic acid; (NE)-N-(1-methyl-2-pyrrolidinylidene)-N'-phenyl-4-morpholinecarboximidamide IUPAC Name: (E)-but-2-enedioic acid; (NE)-N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide Traditional Name: fumaric acid; (NE)-N-(1-methylpyrrolidin-2-ylidene)-N'-phenyl-morpholine-4-carboxamidine Formula: C20H26N4O5 MolecularWeight: 402.44424

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1=NC(=NC2=CC=CC=C2)N3CCOCC3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN\1CCC/C1=N\C(=NC2=CC=CC=C2)N3CCOCC3.C(=C/C(=O)O)\C(=O)O

InChI

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