[4-[(E)-2-cyano-2-(1-methylbenzimidazol-2-yl)ethenyl]-2-methoxy-phenyl] 4-fluoranylbenzoate

Systemtic Name: [4-[(E)-2-cyano-2-(1-methylbenzimidazol-2-yl)ethenyl]-2-methoxy-phenyl] 4-fluoranylbenzoate Openeye Name: [4-[(E)-2-cyano-2-(1-methylbenzimidazol-2-yl)vinyl]-2-methoxy-phenyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [4-[(E)-2-cyano-2-(1-methyl-2-benzimidazolyl)ethenyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-2-(1-methylbenzimidazol-2-yl)ethenyl]-2-methoxyphenyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [4-[(E)-2-cyano-2-(1-methylbenzimidazol-2-yl)vinyl]-2-methoxy-phenyl] ester Formula: C25H18FN3O3 MolecularWeight: 427.427123

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(=CC3=CC(=C(C=C3)OC(=O)C4=CC=C(C=C4)F)OC)C#N

Isomeric SMILES

CN1C2=CC=CC=C2N=C1/C(=C/C3=CC(=C(C=C3)OC(=O)C4=CC=C(C=C4)F)OC)/C#N

InChI

InChI=1S/C25H18FN3O3/c1-29-21-6-4-3-5-20(21)28-24(29)18(15-27)13-16-7-12-22(23(14-16)31-2)32-25(30)17-8-10-19(26)11-9-17/h3-14H,1-2H3/b18-13+