1-cyclohexyl-2-(4-ethoxy-2-phenyl-quinolin-6-yl)benzimidazole-5-carboxylic acid

Systemtic Name: 1-cyclohexyl-2-(4-ethoxy-2-phenyl-quinolin-6-yl)benzimidazole-5-carboxylic acid Openeye Name: 1-cyclohexyl-2-(4-ethoxy-2-phenyl-6-quinolyl)benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-(4-ethoxy-2-phenyl-6-quinolinyl)-5-benzimidazolecarboxylic acid IUPAC Name: 1-cyclohexyl-2-(4-ethoxy-2-phenylquinolin-6-yl)benzimidazole-5-carboxylic acid Traditional Name: 1-cyclohexyl-2-(4-ethoxy-2-phenyl-6-quinolyl)benzimidazole-5-carboxylic acid Formula: C31H29N3O3 MolecularWeight: 491.58026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=NC2=C1C=C(C=C2)C3=NC4=C(N3C5CCCCC5)C=CC(=C4)C(=O)O)C6=CC=CC=C6

Isomeric SMILES

CCOC1=CC(=NC2=C1C=C(C=C2)C3=NC4=C(N3C5CCCCC5)C=CC(=C4)C(=O)O)C6=CC=CC=C6

InChI

InChI=1S/C31H29N3O3/c1-2-37-29-19-26(20-9-5-3-6-10-20)32-25-15-13-21(17-24(25)29)30-33-27-18-22(31(35)36)14-16-28(27)34(30)23-11-7-4-8-12-23/h3,5-6,9-10,13-19,23H,2,4,7-8,11-12H2,1H3,(H,35,36)