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

Systemtic Name: 1-cyclohexyl-2-[4-(dipyridin-3-ylmethoxy)-2-fluoranyl-phenyl]benzimidazole-5-carboxylic acid Openeye Name: 2-[4-[bis(3-pyridyl)methoxy]-2-fluoro-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[4-[bis(3-pyridinyl)methoxy]-2-fluorophenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 1-cyclohexyl-2-[4-(dipyridin-3-ylmethoxy)-2-fluorophenyl]benzimidazole-5-carboxylic acid Traditional Name: 2-[4-[bis(3-pyridyl)methoxy]-2-fluoro-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C31H27FN4O3 MolecularWeight: 522.569483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H27FN4O3/c32-26-17-24(39-29(21-6-4-14-33-18-21)22-7-5-15-34-19-22)11-12-25(26)30-35-27-16-20(31(37)38)10-13-28(27)36(30)23-8-2-1-3-9-23/h4-7,10-19,23,29H,1-3,8-9H2,(H,37,38)