(E)-but-2-enedioate; N-cyclopentyl-1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-amine

Systemtic Name: (E)-but-2-enedioate; N-cyclopentyl-1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-amine Openeye Name: (E)-but-2-enedioate; N-cyclopentyl-1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-amine CAS Name: (E)-2-butenedioate; N-cyclopentyl-1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-amine IUPAC Name: (E)-but-2-enedioate; N-cyclopentyl-1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-amine Traditional Name: cyclopentyl-(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)amine trifumarate Formula: C40H52N6O12-6 MolecularWeight: 808.87388

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1CCC(C2)NC3CCCC3.CCN1C=NC2=C1CCC(C2)NC3CCCC3.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)NC3CCCC3.CCN1C2=C(N=C1)CC(CC2)NC3CCCC3.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/2C14H23N3.3C4H4O4/c2*1-2-17-10-15-13-9-12(7-8-14(13)17)16-11-5-3-4-6-11;3*5-3(6)1-2-4(7)8/h2*10-12,16H,2-9H2,1H3;3*1-2H,(H,5,6)(H,7,8)/p-6/b;;3*2-1+