1-cyclohexyl-2-[2-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)quinolin-6-yl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-cyclohexyl-2-[2-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)quinolin-6-yl]benzimidazole-5-carboxylic acid Openeye Name: 2-[2-(5-benzyloxy-2-methyl-benzofuran-3-yl)-6-quinolyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-[2-(2-methyl-5-phenylmethoxy-3-benzofuranyl)-6-quinolinyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-cyclohexyl-2-[2-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)quinolin-6-yl]benzimidazole-5-carboxylic acid Traditional Name: 2-[2-(5-benzoxy-2-methyl-benzofuran-3-yl)-6-quinolyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C39H33N3O4 MolecularWeight: 607.69702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2)OCC3=CC=CC=C3)C4=NC5=C(C=C4)C=C(C=C5)C6=NC7=C(N6C8CCCCC8)C=CC(=C7)C(=O)O

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2)OCC3=CC=CC=C3)C4=NC5=C(C=C4)C=C(C=C5)C6=NC7=C(N6C8CCCCC8)C=CC(=C7)C(=O)O

InChI

InChI=1S/C39H33N3O4/c1-24-37(31-22-30(15-19-36(31)46-24)45-23-25-8-4-2-5-9-25)33-17-12-26-20-27(13-16-32(26)40-33)38-41-34-21-28(39(43)44)14-18-35(34)42(38)29-10-6-3-7-11-29/h2,4-5,8-9,12-22,29H,3,6-7,10-11,23H2,1H3,(H,43,44)