(E)-but-2-enedioic acid; 1-(5-phenylpyridin-2-yl)piperazine

Systemtic Name: (E)-but-2-enedioic acid; 1-(5-phenylpyridin-2-yl)piperazine Openeye Name: fumaric acid; 1-(5-phenyl-2-pyridyl)piperazine CAS Name: (E)-2-butenedioic acid; 1-(5-phenyl-2-pyridinyl)piperazine IUPAC Name: (E)-but-2-enedioic acid; 1-(5-phenylpyridin-2-yl)piperazine Traditional Name: fumaric acid; 1-(5-phenyl-2-pyridyl)piperazine Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC=C(C=C2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1)C2=NC=C(C=C2)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H17N3.C4H4O4/c1-2-4-13(5-3-1)14-6-7-15(17-12-14)18-10-8-16-9-11-18;5-3(6)1-2-4(7)8/h1-7,12,16H,8-11H2;1-2H,(H,5,6)(H,7,8)/b;2-1+