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

Systemtic Name: tert-butyl 3-[3-[(3-chloranyl-4-methoxy-phenyl)methyl]-5-cyano-2-oxidanylidene-benzimidazol-1-yl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C25H27ClN4O4 MolecularWeight: 482.95928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)N2C3=C(C=C(C=C3)C#N)N(C2=O)CC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C1)N2C3=C(C=C(C=C3)C#N)N(C2=O)CC4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C25H27ClN4O4/c1-25(2,3)34-24(32)28-10-9-18(15-28)30-20-7-5-16(13-27)12-21(20)29(23(30)31)14-17-6-8-22(33-4)19(26)11-17/h5-8,11-12,18H,9-10,14-15H2,1-4H3