(E)-but-2-enedioic acid; 1-(3-imidazol-1-ylpropyl)-3-phenyl-quinazoline-2,4-dione

Systemtic Name: (E)-but-2-enedioic acid; 1-(3-imidazol-1-ylpropyl)-3-phenyl-quinazoline-2,4-dione Openeye Name: fumaric acid; 1-(3-imidazol-1-ylpropyl)-3-phenyl-quinazoline-2,4-dione CAS Name: (E)-2-butenedioic acid; 1-[3-(1-imidazolyl)propyl]-3-phenylquinazoline-2,4-dione IUPAC Name: (E)-but-2-enedioic acid; 1-(3-imidazol-1-ylpropyl)-3-phenylquinazoline-2,4-dione Traditional Name: fumaric acid; 1-(3-imidazol-1-ylpropyl)-3-phenyl-quinazoline-2,4-quinone Formula: C24H22N4O6 MolecularWeight: 462.45468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N(C2=O)CCCN4C=CN=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N(C2=O)CCCN4C=CN=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H18N4O2.C4H4O4/c25-19-17-9-4-5-10-18(17)23(13-6-12-22-14-11-21-15-22)20(26)24(19)16-7-2-1-3-8-16;5-3(6)1-2-4(7)8/h1-5,7-11,14-15H,6,12-13H2;1-2H,(H,5,6)(H,7,8)/b;2-1+