tert-butyl 2-[4-[[2-butyl-7-(3-imidazol-1-ylpropoxy)-4-methyl-benzimidazol-1-yl]methyl]phenyl]benzoate

Systemtic Name: tert-butyl 2-[4-[[2-butyl-7-(3-imidazol-1-ylpropoxy)-4-methyl-benzimidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[2-butyl-7-(3-imidazol-1-ylpropoxy)-4-methyl-benzimidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-butyl-7-[3-(1-imidazolyl)propoxy]-4-methyl-1-benzimidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[2-butyl-7-(3-imidazol-1-ylpropoxy)-4-methylbenzimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[2-butyl-7-(3-imidazol-1-ylpropoxy)-4-methyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C36H42N4O3 MolecularWeight: 578.74368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C)OCCCN5C=CN=C5)C

Isomeric SMILES

CCCCC1=NC2=C(C=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C)OCCCN5C=CN=C5)C

InChI

InChI=1S/C36H42N4O3/c1-6-7-13-32-38-33-26(2)14-19-31(42-23-10-21-39-22-20-37-25-39)34(33)40(32)24-27-15-17-28(18-16-27)29-11-8-9-12-30(29)35(41)43-36(3,4)5/h8-9,11-12,14-20,22,25H,6-7,10,13,21,23-24H2,1-5H3