2-[(E)-2-(3-fluoranyl-4-methoxy-phenyl)ethenyl]-1H-benzimidazole-4-carboxylate

Systemtic Name: 2-[(E)-2-(3-fluoranyl-4-methoxy-phenyl)ethenyl]-1H-benzimidazole-4-carboxylate Openeye Name: 2-[(E)-2-(3-fluoro-4-methoxy-phenyl)vinyl]-1H-benzimidazole-4-carboxylate CAS Name: 2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate IUPAC Name: 2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate Traditional Name: 2-[(E)-2-(3-fluoro-4-methoxy-phenyl)vinyl]-1H-benzimidazole-4-carboxylate Formula: C17H12FN2O3- MolecularWeight: 311.287183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC2=NC3=C(C=CC=C3N2)C(=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C2=NC3=C(C=CC=C3N2)C(=O)[O-])F

InChI

InChI=1S/C17H13FN2O3/c1-23-14-7-5-10(9-12(14)18)6-8-15-19-13-4-2-3-11(17(21)22)16(13)20-15/h2-9H,1H3,(H,19,20)(H,21,22)/p-1/b8-6+