tert-butyl 2-[4-[[6-(2-oxidanylidenepiperidin-1-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoate

Systemtic Name: tert-butyl 2-[4-[[6-(2-oxidanylidenepiperidin-1-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[6-(2-oxo-1-piperidyl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[6-(2-oxo-1-piperidinyl)-2-propyl-1-benzimidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[6-(2-oxopiperidin-1-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[6-(2-ketopiperidino)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C33H37N3O3 MolecularWeight: 523.66518

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C)C=C(C=C2)N5CCCCC5=O

Isomeric SMILES

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C)C=C(C=C2)N5CCCCC5=O

InChI

InChI=1S/C33H37N3O3/c1-5-10-30-34-28-19-18-25(35-20-9-8-13-31(35)37)21-29(28)36(30)22-23-14-16-24(17-15-23)26-11-6-7-12-27(26)32(38)39-33(2,3)4/h6-7,11-12,14-19,21H,5,8-10,13,20,22H2,1-4H3