(E)-but-2-enedioic acid; 3-[morpholin-2-yl(phenyl)methyl]-1H-benzimidazol-2-one

Systemtic Name: (E)-but-2-enedioic acid; 3-[morpholin-2-yl(phenyl)methyl]-1H-benzimidazol-2-one Openeye Name: fumaric acid; 3-[morpholin-2-yl(phenyl)methyl]-1H-benzimidazol-2-one CAS Name: (E)-2-butenedioic acid; 3-[2-morpholinyl(phenyl)methyl]-1H-benzimidazol-2-one IUPAC Name: (E)-but-2-enedioic acid; 3-[morpholin-2-yl(phenyl)methyl]-1H-benzimidazol-2-one Traditional Name: fumaric acid; 3-[morpholin-2-yl(phenyl)methyl]-1H-benzimidazol-2-one Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CN1)C(C2=CC=CC=C2)N3C4=CC=CC=C4NC3=O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1COC(CN1)C(C2=CC=CC=C2)N3C4=CC=CC=C4NC3=O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H19N3O2.C4H4O4/c22-18-20-14-8-4-5-9-15(14)21(18)17(13-6-2-1-3-7-13)16-12-19-10-11-23-16;5-3(6)1-2-4(7)8/h1-9,16-17,19H,10-12H2,(H,20,22);1-2H,(H,5,6)(H,7,8)/b;2-1+