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

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

Isomeric SMILES

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

InChI

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