2-[4-[[2-butyl-6-(cyclohexylcarbonylamino)-1-methyl-benzimidazol-4-yl]methyl]phenoxy]-2-phenyl-ethanoic acid

Systemtic Name: 2-[4-[[2-butyl-6-(cyclohexylcarbonylamino)-1-methyl-benzimidazol-4-yl]methyl]phenoxy]-2-phenyl-ethanoic acid Openeye Name: 2-[4-[[2-butyl-6-(cyclohexanecarbonylamino)-1-methyl-benzimidazol-4-yl]methyl]phenoxy]-2-phenyl-acetic acid CAS Name: 2-[4-[[2-butyl-6-[[cyclohexyl(oxo)methyl]amino]-1-methyl-4-benzimidazolyl]methyl]phenoxy]-2-phenylacetic acid IUPAC Name: 2-[4-[[2-butyl-6-(cyclohexanecarbonylamino)-1-methylbenzimidazol-4-yl]methyl]phenoxy]-2-phenylacetic acid Traditional Name: 2-[4-[[2-butyl-6-(cyclohexanecarbonylamino)-1-methyl-benzimidazol-4-yl]methyl]phenoxy]-2-phenyl-acetic acid Formula: C34H39N3O4 MolecularWeight: 553.69116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1C)C=C(C=C2CC3=CC=C(C=C3)OC(C4=CC=CC=C4)C(=O)O)NC(=O)C5CCCCC5

Isomeric SMILES

CCCCC1=NC2=C(N1C)C=C(C=C2CC3=CC=C(C=C3)OC(C4=CC=CC=C4)C(=O)O)NC(=O)C5CCCCC5

InChI

InChI=1S/C34H39N3O4/c1-3-4-15-30-36-31-26(21-27(22-29(31)37(30)2)35-33(38)25-13-9-6-10-14-25)20-23-16-18-28(19-17-23)41-32(34(39)40)24-11-7-5-8-12-24/h5,7-8,11-12,16-19,21-22,25,32H,3-4,6,9-10,13-15,20H2,1-2H3,(H,35,38)(H,39,40)