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

Systemtic Name: (E)-but-2-enedioic acid; 2-chloranyl-4-[5-(1-methylpyrrolidin-2-yl)pyridin-3-yl]phenol Openeye Name: 2-chloro-4-[5-(1-methylpyrrolidin-2-yl)-3-pyridyl]phenol; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-chloro-4-[5-(1-methyl-2-pyrrolidinyl)-3-pyridinyl]phenol IUPAC Name: (E)-but-2-enedioic acid; 2-chloro-4-[5-(1-methylpyrrolidin-2-yl)pyridin-3-yl]phenol Traditional Name: 2-chloro-4-[5-(1-methylpyrrolidin-2-yl)-3-pyridyl]phenol; fumaric acid Formula: C20H21ClN2O5 MolecularWeight: 404.84414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN2O.C4H4O4/c1-19-6-2-3-15(19)13-7-12(9-18-10-13)11-4-5-16(20)14(17)8-11;5-3(6)1-2-4(7)8/h4-5,7-10,15,20H,2-3,6H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+