ethyl 2-[4-[[2-butyl-1-(cyclohexylcarbamoylamino)benzimidazol-1-ium-1-yl]methyl]phenoxy]-2-phenyl-ethanoate

Systemtic Name: ethyl 2-[4-[[2-butyl-1-(cyclohexylcarbamoylamino)benzimidazol-1-ium-1-yl]methyl]phenoxy]-2-phenyl-ethanoate Openeye Name: ethyl 2-[4-[[2-butyl-1-(cyclohexylcarbamoylamino)benzimidazol-1-ium-1-yl]methyl]phenoxy]-2-phenyl-acetate CAS Name: 2-[4-[[2-butyl-1-[[(cyclohexylamino)-oxomethyl]amino]-1-benzimidazol-1-iumyl]methyl]phenoxy]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-[4-[[2-butyl-1-(cyclohexylcarbamoylamino)benzimidazol-1-ium-1-yl]methyl]phenoxy]-2-phenylacetate Traditional Name: 2-[4-[[2-butyl-1-(cyclohexylcarbamoylamino)benzimidazol-1-ium-1-yl]methyl]phenoxy]-2-phenyl-acetic acid ethyl ester Formula: C35H43N4O4+ MolecularWeight: 583.74032

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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)OCC)NC(=O)NC5CCCCC5

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)OC(C4=CC=CC=C4)C(=O)OCC)NC(=O)NC5CCCCC5

InChI

InChI=1S/C35H42N4O4/c1-3-5-20-32-37-30-18-12-13-19-31(30)39(32,38-35(41)36-28-16-10-7-11-17-28)25-26-21-23-29(24-22-26)43-33(34(40)42-4-2)27-14-8-6-9-15-27/h6,8-9,12-15,18-19,21-24,28,33H,3-5,7,10-11,16-17,20,25H2,1-2H3,(H-,36,38,41)/p+1