(E)-but-2-enedioic acid; 4-(4,5-dihydro-1H-imidazol-5-ylmethyl)quinoline

Systemtic Name: (E)-but-2-enedioic acid; 4-(4,5-dihydro-1H-imidazol-5-ylmethyl)quinoline Openeye Name: 4-(4,5-dihydro-1H-imidazol-5-ylmethyl)quinoline; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-(4,5-dihydro-1H-imidazol-5-ylmethyl)quinoline IUPAC Name: (E)-but-2-enedioic acid; 4-(4,5-dihydro-1H-imidazol-5-ylmethyl)quinoline Traditional Name: fumaric acid; 4-(2-imidazolin-4-ylmethyl)quinoline Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC=N1)CC2=CC=NC3=CC=CC=C23.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1C(NC=N1)CC2=CC=NC3=CC=CC=C23.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H13N3.C4H4O4/c1-2-4-13-12(3-1)10(5-6-15-13)7-11-8-14-9-16-11;5-3(6)1-2-4(7)8/h1-6,9,11H,7-8H2,(H,14,16);1-2H,(H,5,6)(H,7,8)/b;2-1+