ethanedioic acid; 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-methoxy-1-pyridin-2-yl-benzimidazole

Systemtic Name: ethanedioic acid; 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-methoxy-1-pyridin-2-yl-benzimidazole Openeye Name: 2-[(E)-2-(4-fluorophenyl)vinyl]-5-methoxy-1-(2-pyridyl)benzimidazole; oxalic acid CAS Name: 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-methoxy-1-(2-pyridinyl)benzimidazole; oxalic acid IUPAC Name: 2-[(E)-2-(4-fluorophenyl)ethenyl]-5-methoxy-1-pyridin-2-ylbenzimidazole; oxalic acid Traditional Name: 2-[(E)-2-(4-fluorophenyl)vinyl]-5-methoxy-1-(2-pyridyl)benzimidazole; oxalic acid Formula: C23H18FN3O5 MolecularWeight: 435.404523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=N2)C=CC3=CC=C(C=C3)F)C4=CC=CC=N4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=N2)/C=C/C3=CC=C(C=C3)F)C4=CC=CC=N4.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H16FN3O.C2H2O4/c1-26-17-10-11-19-18(14-17)24-21(25(19)20-4-2-3-13-23-20)12-7-15-5-8-16(22)9-6-15;3-1(4)2(5)6/h2-14H,1H3;(H,3,4)(H,5,6)/b12-7+;