3-[4-[[2-butyl-1-(cyclohexylcarbamoylamino)benzimidazol-5-yl]methyl]phenoxy]hexanoic acid

Systemtic Name: 3-[4-[[2-butyl-1-(cyclohexylcarbamoylamino)benzimidazol-5-yl]methyl]phenoxy]hexanoic acid Openeye Name: 3-[4-[[2-butyl-1-(cyclohexylcarbamoylamino)benzimidazol-5-yl]methyl]phenoxy]hexanoic acid CAS Name: 3-[4-[[2-butyl-1-[[(cyclohexylamino)-oxomethyl]amino]-5-benzimidazolyl]methyl]phenoxy]hexanoic acid IUPAC Name: 3-[4-[[2-butyl-1-(cyclohexylcarbamoylamino)benzimidazol-5-yl]methyl]phenoxy]hexanoic acid Traditional Name: 3-[4-[[2-butyl-1-(cyclohexylcarbamoylamino)benzimidazol-5-yl]methyl]phenoxy]hexanoic acid Formula: C31H42N4O4 MolecularWeight: 534.68958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1NC(=O)NC3CCCCC3)C=CC(=C2)CC4=CC=C(C=C4)OC(CCC)CC(=O)O

Isomeric SMILES

CCCCC1=NC2=C(N1NC(=O)NC3CCCCC3)C=CC(=C2)CC4=CC=C(C=C4)OC(CCC)CC(=O)O

InChI

InChI=1S/C31H42N4O4/c1-3-5-12-29-33-27-20-23(15-18-28(27)35(29)34-31(38)32-24-10-7-6-8-11-24)19-22-13-16-25(17-14-22)39-26(9-4-2)21-30(36)37/h13-18,20,24,26H,3-12,19,21H2,1-2H3,(H,36,37)(H2,32,34,38)