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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)C(=O)O

InChI

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