2-[[2-butyl-6-[hexylcarbamoyl-(phenylmethyl)amino]benzimidazol-1-yl]methyl]-6-phenyl-benzoic acid

Systemtic Name: 2-[[2-butyl-6-[hexylcarbamoyl-(phenylmethyl)amino]benzimidazol-1-yl]methyl]-6-phenyl-benzoic acid Openeye Name: 2-[[6-[benzyl(hexylcarbamoyl)amino]-2-butyl-benzimidazol-1-yl]methyl]-6-phenyl-benzoic acid CAS Name: 2-[[2-butyl-6-[[(hexylamino)-oxomethyl]-(phenylmethyl)amino]-1-benzimidazolyl]methyl]-6-phenylbenzoic acid IUPAC Name: 2-[[6-[benzyl(hexylcarbamoyl)amino]-2-butylbenzimidazol-1-yl]methyl]-6-phenylbenzoic acid Traditional Name: 2-[[6-[benzyl(hexylcarbamoyl)amino]-2-butyl-benzimidazol-1-yl]methyl]-6-phenyl-benzoic acid Formula: C39H44N4O3 MolecularWeight: 616.79166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)N(CC1=CC=CC=C1)C2=CC3=C(C=C2)N=C(N3CC4=CC=CC(=C4C(=O)O)C5=CC=CC=C5)CCCC

Isomeric SMILES

CCCCCCNC(=O)N(CC1=CC=CC=C1)C2=CC3=C(C=C2)N=C(N3CC4=CC=CC(=C4C(=O)O)C5=CC=CC=C5)CCCC

InChI

InChI=1S/C39H44N4O3/c1-3-5-7-14-25-40-39(46)42(27-29-16-10-8-11-17-29)32-23-24-34-35(26-32)43(36(41-34)22-6-4-2)28-31-20-15-21-33(37(31)38(44)45)30-18-12-9-13-19-30/h8-13,15-21,23-24,26H,3-7,14,22,25,27-28H2,1-2H3,(H,40,46)(H,44,45)