1-[[4-[(2-butylbenzimidazol-1-yl)methyl]phenoxy]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[[4-[(2-butylbenzimidazol-1-yl)methyl]phenoxy]methyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[[4-[(2-butylbenzimidazol-1-yl)methyl]phenoxy]methyl]cyclohexanecarboxylic acid CAS Name: 1-[[4-[(2-butyl-1-benzimidazolyl)methyl]phenoxy]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[[4-[(2-butylbenzimidazol-1-yl)methyl]phenoxy]methyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[[4-[(2-butylbenzimidazol-1-yl)methyl]phenoxy]methyl]cyclohexanecarboxylic acid Formula: C26H32N2O3 MolecularWeight: 420.54388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)OCC4(CCCCC4)C(=O)O

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)OCC4(CCCCC4)C(=O)O

InChI

InChI=1S/C26H32N2O3/c1-2-3-11-24-27-22-9-5-6-10-23(22)28(24)18-20-12-14-21(15-13-20)31-19-26(25(29)30)16-7-4-8-17-26/h5-6,9-10,12-15H,2-4,7-8,11,16-19H2,1H3,(H,29,30)