2-[4-[[2-(4-chlorophenyl)-5-(ethylcarbamoylamino)phenyl]methoxy]-2-fluoranyl-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[4-[[2-(4-chlorophenyl)-5-(ethylcarbamoylamino)phenyl]methoxy]-2-fluoranyl-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-[[2-(4-chlorophenyl)-5-(ethylcarbamoylamino)phenyl]methoxy]-2-fluoro-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[4-[[2-(4-chlorophenyl)-5-(ethylcarbamoylamino)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[4-[[2-(4-chlorophenyl)-5-(ethylcarbamoylamino)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[4-[2-(4-chlorophenyl)-5-(ethylcarbamoylamino)benzyl]oxy-2-fluoro-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C36H34ClFN4O4 MolecularWeight: 641.130963

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=CC(=C(C=C1)C2=CC=C(C=C2)Cl)COC3=CC(=C(C=C3)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C(=O)O)F

Isomeric SMILES

CCNC(=O)NC1=CC(=C(C=C1)C2=CC=C(C=C2)Cl)COC3=CC(=C(C=C3)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C(=O)O)F

InChI

InChI=1S/C36H34ClFN4O4/c1-2-39-36(45)40-26-13-15-29(22-8-11-25(37)12-9-22)24(18-26)21-46-28-14-16-30(31(38)20-28)34-41-32-19-23(35(43)44)10-17-33(32)42(34)27-6-4-3-5-7-27/h8-20,27H,2-7,21H2,1H3,(H,43,44)(H2,39,40,45)