4-[6-(1-adamantylcarbamoyl)-1H-benzimidazol-2-yl]benzoic acid

Systemtic Name: 4-[6-(1-adamantylcarbamoyl)-1H-benzimidazol-2-yl]benzoic acid Openeye Name: 4-[6-(1-adamantylcarbamoyl)-1H-benzimidazol-2-yl]benzoic acid CAS Name: 4-[6-[(1-adamantylamino)-oxomethyl]-1H-benzimidazol-2-yl]benzoic acid IUPAC Name: 4-[6-(1-adamantylcarbamoyl)-1H-benzimidazol-2-yl]benzoic acid Traditional Name: 4-[6-(1-adamantylcarbamoyl)-1H-benzimidazol-2-yl]benzoic acid Formula: C25H25N3O3 MolecularWeight: 415.4843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)C(=O)O

InChI

InChI=1S/C25H25N3O3/c29-23(28-25-11-14-7-15(12-25)9-16(8-14)13-25)19-5-6-20-21(10-19)27-22(26-20)17-1-3-18(4-2-17)24(30)31/h1-6,10,14-16H,7-9,11-13H2,(H,26,27)(H,28,29)(H,30,31)