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

Systemtic Name: tert-butyl 2-[4-[[2-butyl-7-(4-imidazol-1-ylbutoxy)-4-methyl-benzimidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[2-butyl-7-(4-imidazol-1-ylbutoxy)-4-methyl-benzimidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-butyl-7-[4-(1-imidazolyl)butoxy]-4-methyl-1-benzimidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[2-butyl-7-(4-imidazol-1-ylbutoxy)-4-methylbenzimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[2-butyl-7-(4-imidazol-1-ylbutoxy)-4-methyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C37H44N4O3 MolecularWeight: 592.77026

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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)OCCCCN5C=CN=C5)C

Isomeric SMILES

CCCCC1=NC2=C(C=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C)OCCCCN5C=CN=C5)C

InChI

InChI=1S/C37H44N4O3/c1-6-7-14-33-39-34-27(2)15-20-32(43-24-11-10-22-40-23-21-38-26-40)35(34)41(33)25-28-16-18-29(19-17-28)30-12-8-9-13-31(30)36(42)44-37(3,4)5/h8-9,12-13,15-21,23,26H,6-7,10-11,14,22,24-25H2,1-5H3