(E)-but-2-enedioic acid; (1-piperidin-1-ylcyclohexyl)methanamine

Systemtic Name: (E)-but-2-enedioic acid; (1-piperidin-1-ylcyclohexyl)methanamine Openeye Name: fumaric acid; [1-(1-piperidyl)cyclohexyl]methanamine CAS Name: (E)-2-butenedioic acid; [1-(1-piperidinyl)cyclohexyl]methanamine IUPAC Name: (E)-but-2-enedioic acid; (1-piperidin-1-ylcyclohexyl)methanamine Traditional Name: fumaric acid; (1-piperidinocyclohexyl)methylamine Formula: C16H28N2O4 MolecularWeight: 312.40452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CN)N2CCCCC2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCC(CC1)(CN)N2CCCCC2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H24N2.C4H4O4/c13-11-12(7-3-1-4-8-12)14-9-5-2-6-10-14;5-3(6)1-2-4(7)8/h1-11,13H2;1-2H,(H,5,6)(H,7,8)/b;2-1+