(E)-but-2-enedioic acid; 4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperazine-1-carbaldehyde

Systemtic Name: (E)-but-2-enedioic acid; 4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperazine-1-carbaldehyde Openeye Name: 4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperazine-1-carbaldehyde; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-[1-(2-ethoxyethyl)-2-benzimidazolyl]-1-piperazinecarboxaldehyde IUPAC Name: (E)-but-2-enedioic acid; 4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperazine-1-carbaldehyde Traditional Name: 4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperazine-1-carbaldehyde; fumaric acid Formula: C20H26N4O6 MolecularWeight: 418.44364

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=CC=CC=C2N=C1N3CCN(CC3)C=O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCOCCN1C2=CC=CC=C2N=C1N3CCN(CC3)C=O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H22N4O2.C4H4O4/c1-2-22-12-11-20-15-6-4-3-5-14(15)17-16(20)19-9-7-18(13-21)8-10-19;5-3(6)1-2-4(7)8/h3-6,13H,2,7-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+