[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-(3-fluoranyl-4-methoxy-phenyl)ethanoate

Systemtic Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-(3-fluoranyl-4-methoxy-phenyl)ethanoate Openeye Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl] 2-(3-fluoro-4-methoxy-phenyl)acetate CAS Name: 2-(3-fluoro-4-methoxyphenyl)acetic acid [3-cyano-3-(1,3-dimethyl-2-benzimidazolylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl] 2-(3-fluoro-4-methoxyphenyl)acetate Traditional Name: 2-(3-fluoro-4-methoxy-phenyl)acetic acid [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C22H20FN3O4 MolecularWeight: 409.410303

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC(=O)CC3=CC(=C(C=C3)OC)F)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC(=O)CC3=CC(=C(C=C3)OC)F)C

InChI

InChI=1S/C22H20FN3O4/c1-25-17-6-4-5-7-18(17)26(2)22(25)15(12-24)19(27)13-30-21(28)11-14-8-9-20(29-3)16(23)10-14/h4-10H,11,13H2,1-3H3