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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN2.C4H4O4/c1-19-7-3-6-16(19)14-8-13(10-18-11-14)12-4-2-5-15(17)9-12;5-3(6)1-2-4(7)8/h2,4-5,8-11,16H,3,6-7H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+