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

Systemtic Name: (E)-but-2-enedioic acid; N-butyl-1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-amine Openeye Name: N-butyl-1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; N-butyl-1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-amine IUPAC Name: (E)-but-2-enedioic acid; N-butyl-1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-amine Traditional Name: butyl-(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)amine; fumaric acid Formula: C17H27N3O4 MolecularWeight: 337.41398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1CCC2=C(C1)N=CN2CC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCNC1CCC2=C(C1)N=CN2CC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H23N3.C4H4O4/c1-3-5-8-14-11-6-7-13-12(9-11)15-10-16(13)4-2;5-3(6)1-2-4(7)8/h10-11,14H,3-9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+