methyl 4-[6-(2-adamantylcarbamoyl)-1H-benzimidazol-2-yl]benzoate

Systemtic Name: methyl 4-[6-(2-adamantylcarbamoyl)-1H-benzimidazol-2-yl]benzoate Openeye Name: methyl 4-[6-(2-adamantylcarbamoyl)-1H-benzimidazol-2-yl]benzoate CAS Name: 4-[6-[(2-adamantylamino)-oxomethyl]-1H-benzimidazol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[6-(2-adamantylcarbamoyl)-1H-benzimidazol-2-yl]benzoate Traditional Name: 4-[6-(2-adamantylcarbamoyl)-1H-benzimidazol-2-yl]benzoic acid methyl ester Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)NC4C5CC6CC(C5)CC4C6

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)NC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C26H27N3O3/c1-32-26(31)17-4-2-16(3-5-17)24-27-21-7-6-18(13-22(21)28-24)25(30)29-23-19-9-14-8-15(11-19)12-20(23)10-14/h2-7,13-15,19-20,23H,8-12H2,1H3,(H,27,28)(H,29,30)