2-[4-(4-chlorophenyl)-2-methyl-3-(pyrimidin-5-ylmethoxy)phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[4-(4-chlorophenyl)-2-methyl-3-(pyrimidin-5-ylmethoxy)phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-(4-chlorophenyl)-2-methyl-3-(pyrimidin-5-ylmethoxy)phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[4-(4-chlorophenyl)-2-methyl-3-(5-pyrimidinylmethoxy)phenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[4-(4-chlorophenyl)-2-methyl-3-(pyrimidin-5-ylmethoxy)phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[4-(4-chlorophenyl)-2-methyl-3-(5-pyrimidylmethoxy)phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C32H29ClN4O3 MolecularWeight: 553.05066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OCC2=CN=CN=C2)C3=CC=C(C=C3)Cl)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1OCC2=CN=CN=C2)C3=CC=C(C=C3)Cl)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C(=O)O

InChI

InChI=1S/C32H29ClN4O3/c1-20-26(31-36-28-15-23(32(38)39)9-14-29(28)37(31)25-5-3-2-4-6-25)12-13-27(22-7-10-24(33)11-8-22)30(20)40-18-21-16-34-19-35-17-21/h7-17,19,25H,2-6,18H2,1H3,(H,38,39)