2-[3-(1-adamantyl)-4-methoxy-phenyl]-3H-benzimidazole-5-carboxylic acid

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

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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)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

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

InChI

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