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

Systemtic Name: tert-butyl 4-[3-[(3-chloranyl-4-methoxy-phenyl)methyl]-5-cyano-2-oxidanylidene-benzimidazol-1-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-[(3-chloro-4-methoxy-phenyl)methyl]-5-cyano-2-oxo-benzimidazol-1-yl]piperidine-1-carboxylate CAS Name: 4-[3-[(3-chloro-4-methoxyphenyl)methyl]-5-cyano-2-oxo-1-benzimidazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[(3-chloro-4-methoxyphenyl)methyl]-5-cyano-2-oxobenzimidazol-1-yl]piperidine-1-carboxylate Traditional Name: 4-[3-(3-chloro-4-methoxy-benzyl)-5-cyano-2-keto-benzimidazol-1-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H29ClN4O4 MolecularWeight: 496.98586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)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(CC1)N2C3=C(C=C(C=C3)C#N)N(C2=O)CC4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C26H29ClN4O4/c1-26(2,3)35-25(33)29-11-9-19(10-12-29)31-21-7-5-17(15-28)14-22(21)30(24(31)32)16-18-6-8-23(34-4)20(27)13-18/h5-8,13-14,19H,9-12,16H2,1-4H3