(E)-but-2-enedioic acid; 4-[5-(pyrrolidin-1-ylmethyl)pyridin-3-yl]phenol

Systemtic Name: (E)-but-2-enedioic acid; 4-[5-(pyrrolidin-1-ylmethyl)pyridin-3-yl]phenol Openeye Name: fumaric acid; 4-[5-(pyrrolidin-1-ylmethyl)-3-pyridyl]phenol CAS Name: (E)-2-butenedioic acid; 4-[5-(1-pyrrolidinylmethyl)-3-pyridinyl]phenol IUPAC Name: (E)-but-2-enedioic acid; 4-[5-(pyrrolidin-1-ylmethyl)pyridin-3-yl]phenol Traditional Name: fumaric acid; 4-[5-(pyrrolidinomethyl)-3-pyridyl]phenol Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CN=CC(=C2)C3=CC=C(C=C3)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(C1)CC2=CN=CC(=C2)C3=CC=C(C=C3)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H18N2O.C4H4O4/c19-16-5-3-14(4-6-16)15-9-13(10-17-11-15)12-18-7-1-2-8-18;5-3(6)1-2-4(7)8/h3-6,9-11,19H,1-2,7-8,12H2;1-2H,(H,5,6)(H,7,8)/b;2-1+