6-[3-(1-adamantyl)-4-methoxy-phenyl]selanylpyridine-3-carboxylic acid

Systemtic Name: 6-[3-(1-adamantyl)-4-methoxy-phenyl]selanylpyridine-3-carboxylic acid Openeye Name: 6-[3-(1-adamantyl)-4-methoxy-phenyl]selanylpyridine-3-carboxylic acid CAS Name: 6-[[3-(1-adamantyl)-4-methoxyphenyl]seleno]-3-pyridinecarboxylic acid IUPAC Name: 6-[3-(1-adamantyl)-4-methoxyphenyl]selanylpyridine-3-carboxylic acid Traditional Name: 6-[[3-(1-adamantyl)-4-methoxy-phenyl]seleno]nicotinic acid Formula: C23H25NO3Se MolecularWeight: 442.4095

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[Se]C2=NC=C(C=C2)C(=O)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1)[Se]C2=NC=C(C=C2)C(=O)O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H25NO3Se/c1-27-20-4-3-18(28-21-5-2-17(13-24-21)22(25)26)9-19(20)23-10-14-6-15(11-23)8-16(7-14)12-23/h2-5,9,13-16H,6-8,10-12H2,1H3,(H,25,26)