(E)-but-2-enedioic acid; 3-(4-chlorophenyl)-5-(1-methylpyrrolidin-2-yl)pyridine

Systemtic Name: (E)-but-2-enedioic acid; 3-(4-chlorophenyl)-5-(1-methylpyrrolidin-2-yl)pyridine Openeye Name: 3-(4-chlorophenyl)-5-(1-methylpyrrolidin-2-yl)pyridine; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-(4-chlorophenyl)-5-(1-methyl-2-pyrrolidinyl)pyridine IUPAC Name: (E)-but-2-enedioic acid; 3-(4-chlorophenyl)-5-(1-methylpyrrolidin-2-yl)pyridine Traditional Name: 3-(4-chlorophenyl)-5-(1-methylpyrrolidin-2-yl)pyridine; fumaric acid Formula: C20H21ClN2O4 MolecularWeight: 388.84474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN2.C4H4O4/c1-19-8-2-3-16(19)14-9-13(10-18-11-14)12-4-6-15(17)7-5-12;5-3(6)1-2-4(7)8/h4-7,9-11,16H,2-3,8H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+