2-[4-(2-acetamidoethylcarbamoyl)phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[4-(2-acetamidoethylcarbamoyl)phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-(2-acetamidoethylcarbamoyl)phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[4-[(2-acetamidoethylamino)-oxomethyl]phenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[4-(2-acetamidoethylcarbamoyl)phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[4-(2-acetamidoethylcarbamoyl)phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC(=O)C1=CC=C(C=C1)C2=NC3=C(N2C4CCCCC4)C=CC(=C3)C(=O)O

Isomeric SMILES

CC(=O)NCCNC(=O)C1=CC=C(C=C1)C2=NC3=C(N2C4CCCCC4)C=CC(=C3)C(=O)O

InChI

InChI=1S/C25H28N4O4/c1-16(30)26-13-14-27-24(31)18-9-7-17(8-10-18)23-28-21-15-19(25(32)33)11-12-22(21)29(23)20-5-3-2-4-6-20/h7-12,15,20H,2-6,13-14H2,1H3,(H,26,30)(H,27,31)(H,32,33)