butyl 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]furan-2-yl]-2-chloranyl-benzoate

Systemtic Name: butyl 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]furan-2-yl]-2-chloranyl-benzoate Openeye Name: butyl 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-furyl]-2-chloro-benzoate CAS Name: 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-furanyl]-2-chlorobenzoic acid butyl ester IUPAC Name: butyl 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate Traditional Name: 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-furyl]-2-chloro-benzoic acid butyl ester Formula: C25H20ClN3O3 MolecularWeight: 445.8976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=C(C#N)C3=NC4=CC=CC=C4N3)Cl

Isomeric SMILES

CCCCOC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)/C=C(\C#N)/C3=NC4=CC=CC=C4N3)Cl

InChI

InChI=1S/C25H20ClN3O3/c1-2-3-12-31-25(30)19-14-16(8-10-20(19)26)23-11-9-18(32-23)13-17(15-27)24-28-21-6-4-5-7-22(21)29-24/h4-11,13-14H,2-3,12H2,1H3,(H,28,29)/b17-13+