(E)-but-2-enedioic acid; 1-ethyl-N-(2-methylpropyl)-4,5,6,7-tetrahydrobenzimidazol-5-amine

Systemtic Name: (E)-but-2-enedioic acid; 1-ethyl-N-(2-methylpropyl)-4,5,6,7-tetrahydrobenzimidazol-5-amine Openeye Name: 1-ethyl-N-isobutyl-4,5,6,7-tetrahydrobenzimidazol-5-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-ethyl-N-(2-methylpropyl)-4,5,6,7-tetrahydrobenzimidazol-5-amine IUPAC Name: (E)-but-2-enedioic acid; 1-ethyl-N-(2-methylpropyl)-4,5,6,7-tetrahydrobenzimidazol-5-amine Traditional Name: (1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)-isobutyl-amine; fumaric acid Formula: C38H58N6O12 MolecularWeight: 790.90012

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1CCC(C2)NCC(C)C.CCN1C=NC2=C1CCC(C2)NCC(C)C.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN1C2=C(N=C1)CC(CC2)NCC(C)C.CCN1C2=C(N=C1)CC(CC2)NCC(C)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/2C13H23N3.3C4H4O4/c2*1-4-16-9-15-12-7-11(5-6-13(12)16)14-8-10(2)3;3*5-3(6)1-2-4(7)8/h2*9-11,14H,4-8H2,1-3H3;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+