2-[(E)-2-(2-cyclopentyloxy-3-methoxy-phenyl)ethenyl]-1-pyrimidin-2-yl-benzimidazole

Systemtic Name: 2-[(E)-2-(2-cyclopentyloxy-3-methoxy-phenyl)ethenyl]-1-pyrimidin-2-yl-benzimidazole Openeye Name: 2-[(E)-2-[2-(cyclopentoxy)-3-methoxy-phenyl]vinyl]-1-pyrimidin-2-yl-benzimidazole CAS Name: 2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-1-(2-pyrimidinyl)benzimidazole IUPAC Name: 2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-1-pyrimidin-2-ylbenzimidazole Traditional Name: 2-[(E)-2-[2-(cyclopentoxy)-3-methoxy-phenyl]vinyl]-1-(2-pyrimidyl)benzimidazole Formula: C25H24N4O2 MolecularWeight: 412.48366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC2CCCC2)C=CC3=NC4=CC=CC=C4N3C5=NC=CC=N5

Isomeric SMILES

COC1=CC=CC(=C1OC2CCCC2)/C=C/C3=NC4=CC=CC=C4N3C5=NC=CC=N5

InChI

InChI=1S/C25H24N4O2/c1-30-22-13-6-8-18(24(22)31-19-9-2-3-10-19)14-15-23-28-20-11-4-5-12-21(20)29(23)25-26-16-7-17-27-25/h4-8,11-17,19H,2-3,9-10H2,1H3/b15-14+