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

Systemtic Name: tert-butyl 2-[4-[[6-(azocan-1-yl)-2-butyl-benzimidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[6-(azocan-1-yl)-2-butyl-benzimidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[6-(1-azocanyl)-2-butyl-1-benzimidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[6-(azocan-1-yl)-2-butylbenzimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[6-(azocan-1-yl)-2-butyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C36H45N3O2 MolecularWeight: 551.7614

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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)N5CCCCCCC5

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C)C=C(C=C2)N5CCCCCCC5

InChI

InChI=1S/C36H45N3O2/c1-5-6-16-34-37-32-22-21-29(38-23-12-8-7-9-13-24-38)25-33(32)39(34)26-27-17-19-28(20-18-27)30-14-10-11-15-31(30)35(40)41-36(2,3)4/h10-11,14-15,17-22,25H,5-9,12-13,16,23-24,26H2,1-4H3