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

Systemtic Name: (E)-but-2-enedioic acid; 1-ethyl-N-propan-2-yl-4,5,6,7-tetrahydrobenzimidazol-5-amine Openeye Name: 1-ethyl-N-isopropyl-4,5,6,7-tetrahydrobenzimidazol-5-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-ethyl-N-propan-2-yl-4,5,6,7-tetrahydrobenzimidazol-5-amine IUPAC Name: (E)-but-2-enedioic acid; 1-ethyl-N-propan-2-yl-4,5,6,7-tetrahydrobenzimidazol-5-amine Traditional Name: (1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)-isopropyl-amine; fumaric acid Formula: C44H71N9O8 MolecularWeight: 854.09004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN1C2=C(N=C1)CC(CC2)NC(C)C.CCN1C2=C(N=C1)CC(CC2)NC(C)C.CCN1C2=C(N=C1)CC(CC2)NC(C)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/3C12H21N3.2C4H4O4/c3*1-4-15-8-13-11-7-10(14-9(2)3)5-6-12(11)15;2*5-3(6)1-2-4(7)8/h3*8-10,14H,4-7H2,1-3H3;2*1-2H,(H,5,6)(H,7,8)/b;;;2*2-1+