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

Systemtic Name: tert-butyl 2-[4-[[2-butyl-6-(pyrrolidin-1-ylcarbonylamino)benzimidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[2-butyl-6-(pyrrolidine-1-carbonylamino)benzimidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-butyl-6-[[oxo(1-pyrrolidinyl)methyl]amino]-1-benzimidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[2-butyl-6-(pyrrolidine-1-carbonylamino)benzimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[2-butyl-6-(pyrrolidine-1-carbonylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C34H40N4O3 MolecularWeight: 552.7064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C)C=C(C=C2)NC(=O)N5CCCC5

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C)C=C(C=C2)NC(=O)N5CCCC5

InChI

InChI=1S/C34H40N4O3/c1-5-6-13-31-36-29-19-18-26(35-33(40)37-20-9-10-21-37)22-30(29)38(31)23-24-14-16-25(17-15-24)27-11-7-8-12-28(27)32(39)41-34(2,3)4/h7-8,11-12,14-19,22H,5-6,9-10,13,20-21,23H2,1-4H3,(H,35,40)