(E)-but-2-enedioic acid; 2-[(E)-[3-imidazol-1-yl-1-(4-methoxyphenyl)propylidene]amino]oxyethanamine

Systemtic Name: (E)-but-2-enedioic acid; 2-[(E)-[3-imidazol-1-yl-1-(4-methoxyphenyl)propylidene]amino]oxyethanamine Openeye Name: fumaric acid; 2-[(E)-[3-imidazol-1-yl-1-(4-methoxyphenyl)propylidene]amino]oxyethanamine CAS Name: (E)-2-butenedioic acid; 2-[(E)-[3-(1-imidazolyl)-1-(4-methoxyphenyl)propylidene]amino]oxyethanamine IUPAC Name: (E)-but-2-enedioic acid; 2-[(E)-[3-imidazol-1-yl-1-(4-methoxyphenyl)propylidene]amino]oxyethanamine Traditional Name: fumaric acid; 2-[(E)-[3-imidazol-1-yl-1-(4-methoxyphenyl)propylidene]amino]oxyethylamine Formula: C23H28N4O10 MolecularWeight: 520.48922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=NOCCN)CCN2C=CN=C2.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)/C(=N/OCCN)/CCN2C=NC=C2.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H20N4O2.2C4H4O4/c1-20-14-4-2-13(3-5-14)15(18-21-11-7-16)6-9-19-10-8-17-12-19;2*5-3(6)1-2-4(7)8/h2-5,8,10,12H,6-7,9,11,16H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b18-15+;2*2-1+