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

Systemtic Name: methyl 3-[3-[(3-chloranyl-4-methoxy-phenyl)methyl]-5-cyano-2-oxidanylidene-benzimidazol-1-yl]pyrrolidine-1-carboxylate Openeye Name: methyl 3-[3-[(3-chloro-4-methoxy-phenyl)methyl]-5-cyano-2-oxo-benzimidazol-1-yl]pyrrolidine-1-carboxylate CAS Name: 3-[3-[(3-chloro-4-methoxyphenyl)methyl]-5-cyano-2-oxo-1-benzimidazolyl]-1-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 3-[3-[(3-chloro-4-methoxyphenyl)methyl]-5-cyano-2-oxobenzimidazol-1-yl]pyrrolidine-1-carboxylate Traditional Name: 3-[3-(3-chloro-4-methoxy-benzyl)-5-cyano-2-keto-benzimidazol-1-yl]pyrrolidine-1-carboxylic acid methyl ester Formula: C22H21ClN4O4 MolecularWeight: 440.87954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C3=C(C=CC(=C3)C#N)N(C2=O)C4CCN(C4)C(=O)OC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C3=C(C=CC(=C3)C#N)N(C2=O)C4CCN(C4)C(=O)OC)Cl

InChI

InChI=1S/C22H21ClN4O4/c1-30-20-6-4-15(9-17(20)23)12-26-19-10-14(11-24)3-5-18(19)27(21(26)28)16-7-8-25(13-16)22(29)31-2/h3-6,9-10,16H,7-8,12-13H2,1-2H3