(E)-but-2-enedioic acid; 4-morpholin-4-yl-2-(2-phenyl-1,3-benzodioxol-2-yl)butanoic acid

Systemtic Name: (E)-but-2-enedioic acid; 4-morpholin-4-yl-2-(2-phenyl-1,3-benzodioxol-2-yl)butanoic acid Openeye Name: fumaric acid; 4-morpholino-2-(2-phenyl-1,3-benzodioxol-2-yl)butanoic acid CAS Name: (E)-2-butenedioic acid; 4-(4-morpholinyl)-2-(2-phenyl-1,3-benzodioxol-2-yl)butanoic acid IUPAC Name: (E)-but-2-enedioic acid; 4-morpholin-4-yl-2-(2-phenyl-1,3-benzodioxol-2-yl)butanoic acid Traditional Name: fumaric acid; 4-morpholino-2-(2-phenyl-1,3-benzodioxol-2-yl)butyric acid Formula: C25H27NO9 MolecularWeight: 485.48318

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCC(C(=O)O)C2(OC3=CC=CC=C3O2)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1COCCN1CCC(C(=O)O)C2(OC3=CC=CC=C3O2)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H23NO5.C4H4O4/c23-20(24)17(10-11-22-12-14-25-15-13-22)21(16-6-2-1-3-7-16)26-18-8-4-5-9-19(18)27-21;5-3(6)1-2-4(7)8/h1-9,17H,10-15H2,(H,23,24);1-2H,(H,5,6)(H,7,8)/b;2-1+