1-(1-adamantyl)-4-oxidanylidene-6-phenyl-pyridine-3-carboxylic acid

Systemtic Name: 1-(1-adamantyl)-4-oxidanylidene-6-phenyl-pyridine-3-carboxylic acid Openeye Name: 1-(1-adamantyl)-4-oxo-6-phenyl-pyridine-3-carboxylic acid CAS Name: 1-(1-adamantyl)-4-oxo-6-phenyl-3-pyridinecarboxylic acid IUPAC Name: 1-(1-adamantyl)-4-oxo-6-phenylpyridine-3-carboxylic acid Traditional Name: 1-(1-adamantyl)-4-keto-6-phenyl-nicotinic acid Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=O)C=C4C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=O)C=C4C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C22H23NO3/c24-20-9-19(17-4-2-1-3-5-17)23(13-18(20)21(25)26)22-10-14-6-15(11-22)8-16(7-14)12-22/h1-5,9,13-16H,6-8,10-12H2,(H,25,26)