(E)-but-2-enedioic acid; (3-chlorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)-pyridin-2-yl-methanol

Systemtic Name: (E)-but-2-enedioic acid; (3-chlorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)-pyridin-2-yl-methanol Openeye Name: (3-chlorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)-(2-pyridyl)methanol; fumaric acid CAS Name: (E)-2-butenedioic acid; (3-chlorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)-(2-pyridinyl)methanol IUPAC Name: (E)-but-2-enedioic acid; (3-chlorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)-pyridin-2-ylmethanol Traditional Name: (3-chlorophenyl)-(2-imidazolin-2-yl)-(2-pyridyl)methanol; fumaric acid Formula: C19H18ClN3O5 MolecularWeight: 403.81632

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)C(C2=CC(=CC=C2)Cl)(C3=CC=CC=N3)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN=C(N1)C(C2=CC(=CC=C2)Cl)(C3=CC=CC=N3)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H14ClN3O.C4H4O4/c16-12-5-3-4-11(10-12)15(20,14-18-8-9-19-14)13-6-1-2-7-17-13;5-3(6)1-2-4(7)8/h1-7,10,20H,8-9H2,(H,18,19);1-2H,(H,5,6)(H,7,8)/b;2-1+