2-[3-[(4-chloranyl-3-methoxy-phenyl)methyl]-5-cyano-2-oxidanylidene-benzimidazol-1-yl]propyl ethanoate

Systemtic Name: 2-[3-[(4-chloranyl-3-methoxy-phenyl)methyl]-5-cyano-2-oxidanylidene-benzimidazol-1-yl]propyl ethanoate Openeye Name: 2-[3-[(4-chloro-3-methoxy-phenyl)methyl]-5-cyano-2-oxo-benzimidazol-1-yl]propyl acetate CAS Name: acetic acid 2-[3-[(4-chloro-3-methoxyphenyl)methyl]-5-cyano-2-oxo-1-benzimidazolyl]propyl ester IUPAC Name: 2-[3-[(4-chloro-3-methoxyphenyl)methyl]-5-cyano-2-oxobenzimidazol-1-yl]propyl acetate Traditional Name: acetic acid 2-[3-(4-chloro-3-methoxy-benzyl)-5-cyano-2-keto-benzimidazol-1-yl]propyl ester Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C)N1C2=C(C=C(C=C2)C#N)N(C1=O)CC3=CC(=C(C=C3)Cl)OC

Isomeric SMILES

CC(COC(=O)C)N1C2=C(C=C(C=C2)C#N)N(C1=O)CC3=CC(=C(C=C3)Cl)OC

InChI

InChI=1S/C21H20ClN3O4/c1-13(12-29-14(2)26)25-18-7-5-15(10-23)8-19(18)24(21(25)27)11-16-4-6-17(22)20(9-16)28-3/h4-9,13H,11-12H2,1-3H3