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

Systemtic Name: 2-[2-(2-bromophenyl)-4-methyl-quinolin-6-yl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[2-(2-bromophenyl)-4-methyl-6-quinolyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[2-(2-bromophenyl)-4-methyl-6-quinolinyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[2-(2-bromophenyl)-4-methylquinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[2-(2-bromophenyl)-4-methyl-6-quinolyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C30H26BrN3O2 MolecularWeight: 540.45034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)C3=NC4=C(N3C5CCCCC5)C=CC(=C4)C(=O)O)C6=CC=CC=C6Br

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)C3=NC4=C(N3C5CCCCC5)C=CC(=C4)C(=O)O)C6=CC=CC=C6Br

InChI

InChI=1S/C30H26BrN3O2/c1-18-15-26(22-9-5-6-10-24(22)31)32-25-13-11-19(16-23(18)25)29-33-27-17-20(30(35)36)12-14-28(27)34(29)21-7-3-2-4-8-21/h5-6,9-17,21H,2-4,7-8H2,1H3,(H,35,36)