methyl 2-[3-(1-adamantyl)-4-methoxy-phenyl]-3H-benzimidazole-5-carboxylate

Systemtic Name: methyl 2-[3-(1-adamantyl)-4-methoxy-phenyl]-3H-benzimidazole-5-carboxylate Openeye Name: methyl 2-[3-(1-adamantyl)-4-methoxy-phenyl]-3H-benzimidazole-5-carboxylate CAS Name: 2-[3-(1-adamantyl)-4-methoxyphenyl]-3H-benzimidazole-5-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(1-adamantyl)-4-methoxyphenyl]-3H-benzimidazole-5-carboxylate Traditional Name: 2-[3-(1-adamantyl)-4-methoxy-phenyl]-3H-benzimidazole-5-carboxylic acid methyl ester Formula: C26H28N2O3 MolecularWeight: 416.51212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)OC)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)OC)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H28N2O3/c1-30-23-6-4-18(24-27-21-5-3-19(25(29)31-2)11-22(21)28-24)10-20(23)26-12-15-7-16(13-26)9-17(8-15)14-26/h3-6,10-11,15-17H,7-9,12-14H2,1-2H3,(H,27,28)