3-[2-butyl-1-(cyclohexylcarbamoylamino)benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid

Systemtic Name: 3-[2-butyl-1-(cyclohexylcarbamoylamino)benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid Openeye Name: 3-[2-butyl-1-(cyclohexylcarbamoylamino)benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzoic acid CAS Name: 3-[2-butyl-1-[[(cyclohexylamino)-oxomethyl]amino]-1-benzimidazol-1-iumyl]-2-methyl-6-phenylbenzoic acid IUPAC Name: 3-[2-butyl-1-(cyclohexylcarbamoylamino)benzimidazol-1-ium-1-yl]-2-methyl-6-phenylbenzoic acid Traditional Name: 3-[2-butyl-1-(cyclohexylcarbamoylamino)benzimidazol-1-ium-1-yl]-2-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(C3=C(C(=C(C=C3)C4=CC=CC=C4)C(=O)O)C)NC(=O)NC5CCCCC5

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2[N+]1(C3=C(C(=C(C=C3)C4=CC=CC=C4)C(=O)O)C)NC(=O)NC5CCCCC5

InChI

InChI=1S/C32H36N4O3/c1-3-4-19-29-34-26-17-11-12-18-28(26)36(29,35-32(39)33-24-15-9-6-10-16-24)27-21-20-25(23-13-7-5-8-14-23)30(22(27)2)31(37)38/h5,7-8,11-14,17-18,20-21,24H,3-4,6,9-10,15-16,19H2,1-2H3,(H2-,33,35,37,38,39)/p+1