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

Systemtic Name: (E)-but-2-enedioic acid; N-cyclohexyl-1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-amine Openeye Name: N-cyclohexyl-1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; N-cyclohexyl-1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-amine IUPAC Name: (E)-but-2-enedioic acid; N-cyclohexyl-1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-amine Traditional Name: cyclohexyl-(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)amine; fumaric acid Formula: C42H62N6O12 MolecularWeight: 842.97468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1CCC(C2)NC3CCCCC3.CCN1C=NC2=C1CCC(C2)NC3CCCCC3.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)NC3CCCCC3.CCN1C2=C(N=C1)CC(CC2)NC3CCCCC3.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/2C15H25N3.3C4H4O4/c2*1-2-18-11-16-14-10-13(8-9-15(14)18)17-12-6-4-3-5-7-12;3*5-3(6)1-2-4(7)8/h2*11-13,17H,2-10H2,1H3;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+