2-[2-(4-acetamidophenyl)quinolin-6-yl]-1-cyclohexyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[2-(4-acetamidophenyl)quinolin-6-yl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[2-(4-acetamidophenyl)-6-quinolyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[2-(4-acetamidophenyl)-6-quinolinyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[2-(4-acetamidophenyl)quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[2-(4-acetamidophenyl)-6-quinolyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C31H28N4O3 MolecularWeight: 504.57902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=C2)C=C(C=C3)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=C2)C=C(C=C3)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C(=O)O

InChI

InChI=1S/C31H28N4O3/c1-19(36)32-24-12-7-20(8-13-24)26-14-9-21-17-22(10-15-27(21)33-26)30-34-28-18-23(31(37)38)11-16-29(28)35(30)25-5-3-2-4-6-25/h7-18,25H,2-6H2,1H3,(H,32,36)(H,37,38)