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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1C2=CN=CC(=C2)C3=CC=C(C=C3)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCCC1C2=CN=CC(=C2)C3=CC=C(C=C3)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H18N2O.C4H4O4/c1-18-8-2-3-16(18)14-9-13(10-17-11-14)12-4-6-15(19)7-5-12;5-3(6)1-2-4(7)8/h4-7,9-11,16,19H,2-3,8H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+