2-[4-[[2-butyl-6-(pentylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[2-butyl-6-(pentylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-6-(pentylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-6-(pentylamino)-1-benzimidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-6-(pentylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[6-(amylamino)-2-butyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid Formula: C30H35N3O2 MolecularWeight: 469.6178

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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)O)CCCC

Isomeric SMILES

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

InChI

InChI=1S/C30H35N3O2/c1-3-5-9-19-31-24-17-18-27-28(20-24)33(29(32-27)12-6-4-2)21-22-13-15-23(16-14-22)25-10-7-8-11-26(25)30(34)35/h7-8,10-11,13-18,20,31H,3-6,9,12,19,21H2,1-2H3,(H,34,35)