ethyl (E)-4-(2-pyridin-3-ylbenzimidazol-1-yl)but-2-enoate

Systemtic Name: ethyl (E)-4-(2-pyridin-3-ylbenzimidazol-1-yl)but-2-enoate Openeye Name: ethyl (E)-4-[2-(3-pyridyl)benzimidazol-1-yl]but-2-enoate CAS Name: (E)-4-[2-(3-pyridinyl)-1-benzimidazolyl]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-(2-pyridin-3-ylbenzimidazol-1-yl)but-2-enoate Traditional Name: (E)-4-[2-(3-pyridyl)benzimidazol-1-yl]but-2-enoic acid ethyl ester Formula: C18H17N3O2 MolecularWeight: 307.34648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCN1C2=CC=CC=C2N=C1C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)/C=C/CN1C2=CC=CC=C2N=C1C3=CN=CC=C3

InChI

InChI=1S/C18H17N3O2/c1-2-23-17(22)10-6-12-21-16-9-4-3-8-15(16)20-18(21)14-7-5-11-19-13-14/h3-11,13H,2,12H2,1H3/b10-6+