1-cyclohexyl-2-[3-fluoranyl-4-(4-phenylmethoxyphenoxy)phenyl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-cyclohexyl-2-[3-fluoranyl-4-(4-phenylmethoxyphenoxy)phenyl]benzimidazole-5-carboxylic acid Openeye Name: 2-[4-(4-benzyloxyphenoxy)-3-fluoro-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-[3-fluoro-4-(4-phenylmethoxyphenoxy)phenyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-cyclohexyl-2-[3-fluoro-4-(4-phenylmethoxyphenoxy)phenyl]benzimidazole-5-carboxylic acid Traditional Name: 2-[4-(4-benzoxyphenoxy)-3-fluoro-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C33H29FN2O4 MolecularWeight: 536.592763

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC(=C(C=C4)OC5=CC=C(C=C5)OCC6=CC=CC=C6)F

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC(=C(C=C4)OC5=CC=C(C=C5)OCC6=CC=CC=C6)F

InChI

InChI=1S/C33H29FN2O4/c34-28-19-23(12-18-31(28)40-27-15-13-26(14-16-27)39-21-22-7-3-1-4-8-22)32-35-29-20-24(33(37)38)11-17-30(29)36(32)25-9-5-2-6-10-25/h1,3-4,7-8,11-20,25H,2,5-6,9-10,21H2,(H,37,38)