2-[4-[[2-butyl-1-(dimethylcarbamoylamino)benzimidazol-1-ium-1-yl]methyl]-2-methoxy-phenoxy]-2-phenyl-ethanoic acid

Systemtic Name: 2-[4-[[2-butyl-1-(dimethylcarbamoylamino)benzimidazol-1-ium-1-yl]methyl]-2-methoxy-phenoxy]-2-phenyl-ethanoic acid Openeye Name: 2-[4-[[2-butyl-1-(dimethylcarbamoylamino)benzimidazol-1-ium-1-yl]methyl]-2-methoxy-phenoxy]-2-phenyl-acetic acid CAS Name: 2-[4-[[2-butyl-1-[[dimethylamino(oxo)methyl]amino]-1-benzimidazol-1-iumyl]methyl]-2-methoxyphenoxy]-2-phenylacetic acid IUPAC Name: 2-[4-[[2-butyl-1-(dimethylcarbamoylamino)benzimidazol-1-ium-1-yl]methyl]-2-methoxyphenoxy]-2-phenylacetic acid Traditional Name: 2-[4-[[2-butyl-1-(dimethylcarbamoylamino)benzimidazol-1-ium-1-yl]methyl]-2-methoxy-phenoxy]-2-phenyl-acetic acid Formula: C30H35N4O5+ MolecularWeight: 531.6227

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2[N+]1(CC3=CC(=C(C=C3)OC(C4=CC=CC=C4)C(=O)O)OC)NC(=O)N(C)C

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2[N+]1(CC3=CC(=C(C=C3)OC(C4=CC=CC=C4)C(=O)O)OC)NC(=O)N(C)C

InChI

InChI=1S/C30H34N4O5/c1-5-6-16-27-31-23-14-10-11-15-24(23)34(27,32-30(37)33(2)3)20-21-17-18-25(26(19-21)38-4)39-28(29(35)36)22-12-8-7-9-13-22/h7-15,17-19,28H,5-6,16,20H2,1-4H3,(H-,32,35,36,37)/p+1