2-[[2-butyl-1-(cyclohexylcarbamoylamino)benzimidazol-1-ium-1-yl]methyl]-6-phenyl-benzoic acid

Systemtic Name: 2-[[2-butyl-1-(cyclohexylcarbamoylamino)benzimidazol-1-ium-1-yl]methyl]-6-phenyl-benzoic acid Openeye Name: 2-[[2-butyl-1-(cyclohexylcarbamoylamino)benzimidazol-1-ium-1-yl]methyl]-6-phenyl-benzoic acid CAS Name: 2-[[2-butyl-1-[[(cyclohexylamino)-oxomethyl]amino]-1-benzimidazol-1-iumyl]methyl]-6-phenylbenzoic acid IUPAC Name: 2-[[2-butyl-1-(cyclohexylcarbamoylamino)benzimidazol-1-ium-1-yl]methyl]-6-phenylbenzoic acid Traditional Name: 2-[[2-butyl-1-(cyclohexylcarbamoylamino)benzimidazol-1-ium-1-yl]methyl]-6-phenyl-benzoic acid Formula: C32H37N4O3+ MolecularWeight: 525.66118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=CC(=C3C(=O)O)C4=CC=CC=C4)NC(=O)NC5CCCCC5

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=CC(=C3C(=O)O)C4=CC=CC=C4)NC(=O)NC5CCCCC5

InChI

InChI=1S/C32H36N4O3/c1-2-3-21-29-34-27-19-10-11-20-28(27)36(29,35-32(39)33-25-16-8-5-9-17-25)22-24-15-12-18-26(30(24)31(37)38)23-13-6-4-7-14-23/h4,6-7,10-15,18-20,25H,2-3,5,8-9,16-17,21-22H2,1H3,(H2-,33,35,37,38,39)/p+1