(E)-but-2-enedioic acid; 1-(2-ethoxyethyl)-2-piperazin-1-yl-benzimidazole

Systemtic Name: (E)-but-2-enedioic acid; 1-(2-ethoxyethyl)-2-piperazin-1-yl-benzimidazole Openeye Name: 1-(2-ethoxyethyl)-2-piperazin-1-yl-benzimidazole; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(2-ethoxyethyl)-2-(1-piperazinyl)benzimidazole IUPAC Name: (E)-but-2-enedioic acid; 1-(2-ethoxyethyl)-2-piperazin-1-ylbenzimidazole Traditional Name: 1-(2-ethoxyethyl)-2-piperazino-benzimidazole; fumaric acid Formula: C42H56N8O14 MolecularWeight: 896.93924

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=CC=CC=C2N=C1N3CCNCC3.CCOCCN1C2=CC=CC=C2N=C1N3CCNCC3.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCOCCN1C(=NC2=CC=CC=C12)N3CCNCC3.CCOCCN1C(=NC2=CC=CC=C12)N3CCNCC3.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/2C15H22N4O.3C4H4O4/c2*1-2-20-12-11-19-14-6-4-3-5-13(14)17-15(19)18-9-7-16-8-10-18;3*5-3(6)1-2-4(7)8/h2*3-6,16H,2,7-12H2,1H3;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+