(E)-but-2-enedioic acid; 2-(4-methyl-1,4-diazepan-1-yl)-1-(2-propoxyethyl)benzimidazole

Systemtic Name: (E)-but-2-enedioic acid; 2-(4-methyl-1,4-diazepan-1-yl)-1-(2-propoxyethyl)benzimidazole Openeye Name: fumaric acid; 2-(4-methyl-1,4-diazepan-1-yl)-1-(2-propoxyethyl)benzimidazole CAS Name: (E)-2-butenedioic acid; 2-(4-methyl-1,4-diazepan-1-yl)-1-(2-propoxyethyl)benzimidazole IUPAC Name: (E)-but-2-enedioic acid; 2-(4-methyl-1,4-diazepan-1-yl)-1-(2-propoxyethyl)benzimidazole Traditional Name: fumaric acid; 2-(4-methyl-1,4-diazepan-1-yl)-1-(2-propoxyethyl)benzimidazole Formula: C26H36N4O9 MolecularWeight: 548.58544

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCCN1C2=CC=CC=C2N=C1N3CCCN(CC3)C.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCOCCN1C(=NC2=CC=CC=C12)N3CCN(CCC3)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H28N4O.2C4H4O4/c1-3-14-23-15-13-22-17-8-5-4-7-16(17)19-18(22)21-10-6-9-20(2)11-12-21;2*5-3(6)1-2-4(7)8/h4-5,7-8H,3,6,9-15H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+