3-[[4-(1-cyclohexyloxycarbonyloxyethoxycarbonyl)phenyl]methyl]-2-ethoxy-benzimidazole-5-carboxylic acid

Systemtic Name: 3-[[4-(1-cyclohexyloxycarbonyloxyethoxycarbonyl)phenyl]methyl]-2-ethoxy-benzimidazole-5-carboxylic acid Openeye Name: 3-[[4-[1-(cyclohexoxycarbonyloxy)ethoxycarbonyl]phenyl]methyl]-2-ethoxy-benzimidazole-5-carboxylic acid CAS Name: 3-[[4-[1-[cyclohexyloxy(oxo)methoxy]ethoxy-oxomethyl]phenyl]methyl]-2-ethoxy-5-benzimidazolecarboxylic acid IUPAC Name: 3-[[4-(1-cyclohexyloxycarbonyloxyethoxycarbonyl)phenyl]methyl]-2-ethoxybenzimidazole-5-carboxylic acid Traditional Name: 3-[4-[1-(cyclohexoxycarbonyloxy)ethoxycarbonyl]benzyl]-2-ethoxy-benzimidazole-5-carboxylic acid Formula: C27H30N2O8 MolecularWeight: 510.5357

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)OC(C)OC(=O)OC4CCCCC4)C=C(C=C2)C(=O)O

Isomeric SMILES

CCOC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)OC(C)OC(=O)OC4CCCCC4)C=C(C=C2)C(=O)O

InChI

InChI=1S/C27H30N2O8/c1-3-34-26-28-22-14-13-20(24(30)31)15-23(22)29(26)16-18-9-11-19(12-10-18)25(32)35-17(2)36-27(33)37-21-7-5-4-6-8-21/h9-15,17,21H,3-8,16H2,1-2H3,(H,30,31)