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

Systemtic Name: methyl 4-[6-(1-adamantylcarbamoyl)-1H-benzimidazol-2-yl]benzoate Openeye Name: methyl 4-[6-(1-adamantylcarbamoyl)-1H-benzimidazol-2-yl]benzoate CAS Name: 4-[6-[(1-adamantylamino)-oxomethyl]-1H-benzimidazol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[6-(1-adamantylcarbamoyl)-1H-benzimidazol-2-yl]benzoate Traditional Name: 4-[6-(1-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)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

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