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

Systemtic Name: 2-[2-(4-carboxyphenyl)-3-(pyridin-3-ylmethoxy)phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[2-(4-carboxyphenyl)-3-(3-pyridylmethoxy)phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[2-(4-carboxyphenyl)-3-(3-pyridinylmethoxy)phenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[2-(4-carboxyphenyl)-3-(pyridin-3-ylmethoxy)phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[2-(4-carboxyphenyl)-3-(3-pyridylmethoxy)phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C33H29N3O5 MolecularWeight: 547.60046

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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(=CC=C4)OCC5=CN=CC=C5)C6=CC=C(C=C6)C(=O)O

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=C(C(=CC=C4)OCC5=CN=CC=C5)C6=CC=C(C=C6)C(=O)O

InChI

InChI=1S/C33H29N3O5/c37-32(38)23-13-11-22(12-14-23)30-26(9-4-10-29(30)41-20-21-6-5-17-34-19-21)31-35-27-18-24(33(39)40)15-16-28(27)36(31)25-7-2-1-3-8-25/h4-6,9-19,25H,1-3,7-8,20H2,(H,37,38)(H,39,40)