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

Systemtic Name: 2-[3-(1-adamantyl)-4-methoxy-phenyl]benzimidazole-1-carboxylic acid Openeye Name: 2-[3-(1-adamantyl)-4-methoxy-phenyl]benzimidazole-1-carboxylic acid CAS Name: 2-[3-(1-adamantyl)-4-methoxyphenyl]-1-benzimidazolecarboxylic acid IUPAC Name: 2-[3-(1-adamantyl)-4-methoxyphenyl]benzimidazole-1-carboxylic acid Traditional Name: 2-[3-(1-adamantyl)-4-methoxy-phenyl]benzimidazole-1-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=CC=CC=C3N2C(=O)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N2C(=O)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H26N2O3/c1-30-22-7-6-18(23-26-20-4-2-3-5-21(20)27(23)24(28)29)11-19(22)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)