6-(1-adamantylmethylcarbamoyl)-3-methyl-benzimidazole-5-carboxylic acid

Systemtic Name: 6-(1-adamantylmethylcarbamoyl)-3-methyl-benzimidazole-5-carboxylic acid Openeye Name: 6-(1-adamantylmethylcarbamoyl)-3-methyl-benzimidazole-5-carboxylic acid CAS Name: 6-[(1-adamantylmethylamino)-oxomethyl]-3-methyl-5-benzimidazolecarboxylic acid IUPAC Name: 6-(1-adamantylmethylcarbamoyl)-3-methylbenzimidazole-5-carboxylic acid Traditional Name: 6-(1-adamantylmethylcarbamoyl)-3-methyl-benzimidazole-5-carboxylic acid Formula: C21H25N3O3 MolecularWeight: 367.4415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C=C(C(=C2)C(=O)NCC34CC5CC(C3)CC(C5)C4)C(=O)O

Isomeric SMILES

CN1C=NC2=C1C=C(C(=C2)C(=O)NCC34CC5CC(C3)CC(C5)C4)C(=O)O

InChI

InChI=1S/C21H25N3O3/c1-24-11-23-17-5-15(16(20(26)27)6-18(17)24)19(25)22-10-21-7-12-2-13(8-21)4-14(3-12)9-21/h5-6,11-14H,2-4,7-10H2,1H3,(H,22,25)(H,26,27)