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

Systemtic Name: (E)-but-2-enedioic acid; (NE)-N'-phenyl-N-(1-piperidin-1-ylethylidene)morpholine-4-carboximidamide Openeye Name: fumaric acid; (NE)-N'-phenyl-N-[1-(1-piperidyl)ethylidene]morpholine-4-carboxamidine CAS Name: (E)-2-butenedioic acid; (NE)-N'-phenyl-N-[1-(1-piperidinyl)ethylidene]-4-morpholinecarboximidamide IUPAC Name: (E)-but-2-enedioic acid; (NE)-N'-phenyl-N-(1-piperidin-1-ylethylidene)morpholine-4-carboximidamide Traditional Name: fumaric acid; (NE)-N'-phenyl-N-(1-piperidinoethylidene)morpholine-4-carboxamidine Formula: C22H30N4O5 MolecularWeight: 430.4974

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC(=NC1=CC=CC=C1)N2CCOCC2)N3CCCCC3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C/C(=N\C(=NC1=CC=CC=C1)N2CCOCC2)/N3CCCCC3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H26N4O.C4H4O4/c1-16(21-10-6-3-7-11-21)19-18(22-12-14-23-15-13-22)20-17-8-4-2-5-9-17;5-3(6)1-2-4(7)8/h2,4-5,8-9H,3,6-7,10-15H2,1H3;1-2H,(H,5,6)(H,7,8)/b19-16+,20-18?;2-1+