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

Systemtic Name: tert-butyl 2-[4-[[2-butyl-6-(pentylamino)benzimidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[2-butyl-6-(pentylamino)benzimidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-butyl-6-(pentylamino)-1-benzimidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[2-butyl-6-(pentylamino)benzimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[6-(amylamino)-2-butyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C34H43N3O2 MolecularWeight: 525.72412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=CC2=C(C=C1)N=C(N2CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C)CCCC

Isomeric SMILES

CCCCCNC1=CC2=C(C=C1)N=C(N2CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C)CCCC

InChI

InChI=1S/C34H43N3O2/c1-6-8-12-22-35-27-20-21-30-31(23-27)37(32(36-30)15-9-7-2)24-25-16-18-26(19-17-25)28-13-10-11-14-29(28)33(38)39-34(3,4)5/h10-11,13-14,16-21,23,35H,6-9,12,15,22,24H2,1-5H3