3-(1-adamantyl)-2-(4-methoxyphenyl)benzimidazole-5-carboxylic acid

Systemtic Name: 3-(1-adamantyl)-2-(4-methoxyphenyl)benzimidazole-5-carboxylic acid Openeye Name: 3-(1-adamantyl)-2-(4-methoxyphenyl)benzimidazole-5-carboxylic acid CAS Name: 3-(1-adamantyl)-2-(4-methoxyphenyl)-5-benzimidazolecarboxylic acid IUPAC Name: 3-(1-adamantyl)-2-(4-methoxyphenyl)benzimidazole-5-carboxylic acid Traditional Name: 3-(1-adamantyl)-2-(4-methoxyphenyl)benzimidazole-5-carboxylic acid Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(N2C45CC6CC(C4)CC(C6)C5)C=C(C=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(N2C45CC6CC(C4)CC(C6)C5)C=C(C=C3)C(=O)O

InChI

InChI=1S/C25H26N2O3/c1-30-20-5-2-18(3-6-20)23-26-21-7-4-19(24(28)29)11-22(21)27(23)25-12-15-8-16(13-25)10-17(9-15)14-25/h2-7,11,15-17H,8-10,12-14H2,1H3,(H,28,29)