1-cyclohexyl-2-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-cyclohexyl-2-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid Openeye Name: 1-cyclohexyl-2-[3-(2-pyridylmethylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-[3-[oxo-(2-pyridinylmethylamino)methyl]phenyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-cyclohexyl-2-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid Traditional Name: 1-cyclohexyl-2-[3-(2-pyridylmethylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid Formula: C27H26N4O3 MolecularWeight: 454.52034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC(=CC=C4)C(=O)NCC5=CC=CC=N5

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC(=CC=C4)C(=O)NCC5=CC=CC=N5

InChI

InChI=1S/C27H26N4O3/c32-26(29-17-21-9-4-5-14-28-21)19-8-6-7-18(15-19)25-30-23-16-20(27(33)34)12-13-24(23)31(25)22-10-2-1-3-11-22/h4-9,12-16,22H,1-3,10-11,17H2,(H,29,32)(H,33,34)