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

Systemtic Name: 3-[3-[(3-chloranyl-4-methoxy-phenyl)methyl]-5-cyano-2-oxidanylidene-benzimidazol-1-yl]propyl ethanoate Openeye Name: 3-[3-[(3-chloro-4-methoxy-phenyl)methyl]-5-cyano-2-oxo-benzimidazol-1-yl]propyl acetate CAS Name: acetic acid 3-[3-[(3-chloro-4-methoxyphenyl)methyl]-5-cyano-2-oxo-1-benzimidazolyl]propyl ester IUPAC Name: 3-[3-[(3-chloro-4-methoxyphenyl)methyl]-5-cyano-2-oxobenzimidazol-1-yl]propyl acetate Traditional Name: acetic acid 3-[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(=O)OCCCN1C2=C(C=C(C=C2)C#N)N(C1=O)CC3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CC(=O)OCCCN1C2=C(C=C(C=C2)C#N)N(C1=O)CC3=CC(=C(C=C3)OC)Cl

InChI

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