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

Systemtic Name: (E)-but-2-enedioic acid; 2-(4-methyl-1,4-diazepan-1-yl)-1-(2-prop-2-ynoxyethyl)benzimidazole Openeye Name: fumaric acid; 2-(4-methyl-1,4-diazepan-1-yl)-1-(2-prop-2-ynoxyethyl)benzimidazole CAS Name: (E)-2-butenedioic acid; 2-(4-methyl-1,4-diazepan-1-yl)-1-(2-prop-2-ynoxyethyl)benzimidazole IUPAC Name: (E)-but-2-enedioic acid; 2-(4-methyl-1,4-diazepan-1-yl)-1-(2-prop-2-ynoxyethyl)benzimidazole Traditional Name: fumaric acid; 2-(4-methyl-1,4-diazepan-1-yl)-1-(2-propargyloxyethyl)benzimidazole Formula: C26H32N4O9 MolecularWeight: 544.55368

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=NC3=CC=CC=C3N2CCOCC#C.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CCC1)C2=NC3=CC=CC=C3N2CCOCC#C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H24N4O.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/h1,4-5,7-8H,6,9-15H2,2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+