(E)-but-2-enedioic acid; 2-(4-cyclohexylpiperazin-1-yl)ethanamide

Systemtic Name: (E)-but-2-enedioic acid; 2-(4-cyclohexylpiperazin-1-yl)ethanamide Openeye Name: 2-(4-cyclohexylpiperazin-1-yl)acetamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(4-cyclohexyl-1-piperazinyl)acetamide IUPAC Name: (E)-but-2-enedioic acid; 2-(4-cyclohexylpiperazin-1-yl)acetamide Traditional Name: 2-(4-cyclohexylpiperazino)acetamide; fumaric acid Formula: C36H58N6O14 MolecularWeight: 798.87752

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)CC(=O)N.C1CCC(CC1)N2CCN(CC2)CC(=O)N.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)CC(=O)N.C1CCC(CC1)N2CCN(CC2)CC(=O)N.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/2C12H23N3O.3C4H4O4/c2*13-12(16)10-14-6-8-15(9-7-14)11-4-2-1-3-5-11;3*5-3(6)1-2-4(7)8/h2*11H,1-10H2,(H2,13,16);3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+