(E)-but-2-enedioic acid; 4,5-dihydro-1H-imidazol-2-yl-(4-methoxyphenyl)-pyridin-2-yl-methanol

Systemtic Name: (E)-but-2-enedioic acid; 4,5-dihydro-1H-imidazol-2-yl-(4-methoxyphenyl)-pyridin-2-yl-methanol Openeye Name: 4,5-dihydro-1H-imidazol-2-yl-(4-methoxyphenyl)-(2-pyridyl)methanol; fumaric acid CAS Name: (E)-2-butenedioic acid; 4,5-dihydro-1H-imidazol-2-yl-(4-methoxyphenyl)-(2-pyridinyl)methanol IUPAC Name: (E)-but-2-enedioic acid; 4,5-dihydro-1H-imidazol-2-yl-(4-methoxyphenyl)-pyridin-2-ylmethanol Traditional Name: fumaric acid; 2-imidazolin-2-yl-(4-methoxyphenyl)-(2-pyridyl)methanol Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=N2)(C3=NCCN3)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=N2)(C3=NCCN3)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H17N3O2.C4H4O4/c1-21-13-7-5-12(6-8-13)16(20,15-18-10-11-19-15)14-4-2-3-9-17-14;5-3(6)1-2-4(7)8/h2-9,20H,10-11H2,1H3,(H,18,19);1-2H,(H,5,6)(H,7,8)/b;2-1+