tert-butyl 2-[4-[[2-butyl-7-(5-imidazol-1-ylpentoxy)-4-methyl-benzimidazol-1-yl]methyl]phenyl]benzoate

Systemtic Name: tert-butyl 2-[4-[[2-butyl-7-(5-imidazol-1-ylpentoxy)-4-methyl-benzimidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[2-butyl-7-(5-imidazol-1-ylpentoxy)-4-methyl-benzimidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-butyl-7-[5-(1-imidazolyl)pentoxy]-4-methyl-1-benzimidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[2-butyl-7-(5-imidazol-1-ylpentoxy)-4-methylbenzimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[2-butyl-7-(5-imidazol-1-ylpentoxy)-4-methyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C38H46N4O3 MolecularWeight: 606.79684

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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)OCCCCCN5C=CN=C5)C

Isomeric SMILES

CCCCC1=NC2=C(C=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C)OCCCCCN5C=CN=C5)C

InChI

InChI=1S/C38H46N4O3/c1-6-7-15-34-40-35-28(2)16-21-33(44-25-12-8-11-23-41-24-22-39-27-41)36(35)42(34)26-29-17-19-30(20-18-29)31-13-9-10-14-32(31)37(43)45-38(3,4)5/h9-10,13-14,16-22,24,27H,6-8,11-12,15,23,25-26H2,1-5H3