ethanedioic acid; 2-[(E)-2-phenylethenyl]-5-propan-2-yloxy-1-pyridin-2-yl-benzimidazole

Systemtic Name: ethanedioic acid; 2-[(E)-2-phenylethenyl]-5-propan-2-yloxy-1-pyridin-2-yl-benzimidazole Openeye Name: 5-isopropoxy-1-(2-pyridyl)-2-[(E)-styryl]benzimidazole; oxalic acid CAS Name: oxalic acid; 2-[(E)-2-phenylethenyl]-5-propan-2-yloxy-1-(2-pyridinyl)benzimidazole IUPAC Name: oxalic acid; 2-[(E)-2-phenylethenyl]-5-propan-2-yloxy-1-pyridin-2-ylbenzimidazole Traditional Name: 5-isopropoxy-1-(2-pyridyl)-2-[(E)-styryl]benzimidazole; oxalic acid Formula: C25H23N3O5 MolecularWeight: 445.46722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC2=C(C=C1)N(C(=N2)C=CC3=CC=CC=C3)C4=CC=CC=N4.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)OC1=CC2=C(C=C1)N(C(=N2)/C=C/C3=CC=CC=C3)C4=CC=CC=N4.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H21N3O.C2H2O4/c1-17(2)27-19-12-13-21-20(16-19)25-23(14-11-18-8-4-3-5-9-18)26(21)22-10-6-7-15-24-22;3-1(4)2(5)6/h3-17H,1-2H3;(H,3,4)(H,5,6)/b14-11+;