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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(N2)COC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(N2)COC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H28N2O3/c1-30-25(29)19-2-7-22-23(11-19)28-24(27-22)15-31-21-5-3-20(4-6-21)26-12-16-8-17(13-26)10-18(9-16)14-26/h2-7,11,16-18H,8-10,12-15H2,1H3,(H,27,28)