(E)-but-2-enedioic acid; 4-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]-1,3-benzoxazol-2-amine

Systemtic Name: (E)-but-2-enedioic acid; 4-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]-1,3-benzoxazol-2-amine Openeye Name: fumaric acid; 4-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]-1,3-benzoxazol-2-amine CAS Name: (E)-2-butenedioic acid; 4-[2-[[3-(1-piperazinyl)-2-pyrazinyl]oxy]ethoxy]-1,3-benzoxazol-2-amine IUPAC Name: (E)-but-2-enedioic acid; 4-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]-1,3-benzoxazol-2-amine Traditional Name: fumaric acid; [4-[2-(3-piperazinopyrazin-2-yl)oxyethoxy]-1,3-benzoxazol-2-yl]amine Formula: C21H24N6O7 MolecularWeight: 472.45126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC=CN=C2OCCOC3=CC=CC4=C3N=C(O4)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1)C2=NC=CN=C2OCCOC3=CC=CC4=C3N=C(O4)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H20N6O3.C4H4O4/c18-17-22-14-12(2-1-3-13(14)26-17)24-10-11-25-16-15(20-4-5-21-16)23-8-6-19-7-9-23;5-3(6)1-2-4(7)8/h1-5,19H,6-11H2,(H2,18,22);1-2H,(H,5,6)(H,7,8)/b;2-1+