1-cyclohexyl-2-[3-(pyridin-4-ylmethylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-cyclohexyl-2-[3-(pyridin-4-ylmethylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid Openeye Name: 1-cyclohexyl-2-[3-(4-pyridylmethylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-[3-[oxo-(pyridin-4-ylmethylamino)methyl]phenyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-cyclohexyl-2-[3-(pyridin-4-ylmethylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid Traditional Name: 1-cyclohexyl-2-[3-(4-pyridylmethylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid Formula: C27H26N4O3 MolecularWeight: 454.52034

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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=NC=C5

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC(=CC=C4)C(=O)NCC5=CC=NC=C5

InChI

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