(E)-but-2-enedioic acid; 1-(2-ethoxyethyl)-2-(4-methylpiperazin-1-yl)benzimidazole

Systemtic Name: (E)-but-2-enedioic acid; 1-(2-ethoxyethyl)-2-(4-methylpiperazin-1-yl)benzimidazole Openeye Name: 1-(2-ethoxyethyl)-2-(4-methylpiperazin-1-yl)benzimidazole; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(2-ethoxyethyl)-2-(4-methyl-1-piperazinyl)benzimidazole IUPAC Name: (E)-but-2-enedioic acid; 1-(2-ethoxyethyl)-2-(4-methylpiperazin-1-yl)benzimidazole Traditional Name: 1-(2-ethoxyethyl)-2-(4-methylpiperazino)benzimidazole; fumaric acid Formula: C44H60N8O14 MolecularWeight: 924.9924

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=CC=CC=C2N=C1N3CCN(CC3)C.CCOCCN1C2=CC=CC=C2N=C1N3CCN(CC3)C.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)N3CCN(CC3)C.CCOCCN1C(=NC2=CC=CC=C12)N3CCN(CC3)C.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/2C16H24N4O.3C4H4O4/c2*1-3-21-13-12-20-15-7-5-4-6-14(15)17-16(20)19-10-8-18(2)9-11-19;3*5-3(6)1-2-4(7)8/h2*4-7H,3,8-13H2,1-2H3;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+