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

Systemtic Name: (E)-but-2-enedioic acid; 3-(1-methylpyrrolidin-2-yl)-5-(4-phenoxyphenyl)pyridine Openeye Name: fumaric acid; 3-(1-methylpyrrolidin-2-yl)-5-(4-phenoxyphenyl)pyridine CAS Name: (E)-2-butenedioic acid; 3-(1-methyl-2-pyrrolidinyl)-5-(4-phenoxyphenyl)pyridine IUPAC Name: (E)-but-2-enedioic acid; 3-(1-methylpyrrolidin-2-yl)-5-(4-phenoxyphenyl)pyridine Traditional Name: fumaric acid; 3-(1-methylpyrrolidin-2-yl)-5-(4-phenoxyphenyl)pyridine Formula: C26H26N2O5 MolecularWeight: 446.49504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1C2=CN=CC(=C2)C3=CC=C(C=C3)OC4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCCC1C2=CN=CC(=C2)C3=CC=C(C=C3)OC4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H22N2O.C4H4O4/c1-24-13-5-8-22(24)19-14-18(15-23-16-19)17-9-11-21(12-10-17)25-20-6-3-2-4-7-20;5-3(6)1-2-4(7)8/h2-4,6-7,9-12,14-16,22H,5,8,13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+