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

Systemtic Name: 2-[4-[[2-butyl-1-(dimethylcarbamoylamino)benzimidazol-1-ium-1-yl]methyl]phenoxy]-2-phenyl-ethanoic acid Openeye Name: 2-[4-[[2-butyl-1-(dimethylcarbamoylamino)benzimidazol-1-ium-1-yl]methyl]phenoxy]-2-phenyl-acetic acid CAS Name: 2-[4-[[2-butyl-1-[[dimethylamino(oxo)methyl]amino]-1-benzimidazol-1-iumyl]methyl]phenoxy]-2-phenylacetic acid IUPAC Name: 2-[4-[[2-butyl-1-(dimethylcarbamoylamino)benzimidazol-1-ium-1-yl]methyl]phenoxy]-2-phenylacetic acid Traditional Name: 2-[4-[[2-butyl-1-(dimethylcarbamoylamino)benzimidazol-1-ium-1-yl]methyl]phenoxy]-2-phenyl-acetic acid Formula: C29H33N4O4+ MolecularWeight: 501.59672

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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)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)NC(=O)N(C)C

InChI

InChI=1S/C29H32N4O4/c1-4-5-15-26-30-24-13-9-10-14-25(24)33(26,31-29(36)32(2)3)20-21-16-18-23(19-17-21)37-27(28(34)35)22-11-7-6-8-12-22/h6-14,16-19,27H,4-5,15,20H2,1-3H3,(H-,31,34,35,36)/p+1