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

Systemtic Name: 2-[3-[(3-chloranyl-4-methoxy-phenyl)methyl]-5-cyano-2-oxidanylidene-benzimidazol-1-yl]butyl ethanoate Openeye Name: 2-[3-[(3-chloro-4-methoxy-phenyl)methyl]-5-cyano-2-oxo-benzimidazol-1-yl]butyl acetate CAS Name: acetic acid 2-[3-[(3-chloro-4-methoxyphenyl)methyl]-5-cyano-2-oxo-1-benzimidazolyl]butyl ester IUPAC Name: 2-[3-[(3-chloro-4-methoxyphenyl)methyl]-5-cyano-2-oxobenzimidazol-1-yl]butyl acetate Traditional Name: acetic acid 2-[3-(3-chloro-4-methoxy-benzyl)-5-cyano-2-keto-benzimidazol-1-yl]butyl ester Formula: C22H22ClN3O4 MolecularWeight: 427.88078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O4/c1-4-17(13-30-14(2)27)26-19-7-5-15(11-24)10-20(19)25(22(26)28)12-16-6-8-21(29-3)18(23)9-16/h5-10,17H,4,12-13H2,1-3H3