6-[2-[2-(1-adamantyloxy)phenyl]ethynyl]pyridine-3-carboxylic acid

Systemtic Name: 6-[2-[2-(1-adamantyloxy)phenyl]ethynyl]pyridine-3-carboxylic acid Openeye Name: 6-[2-[2-(1-adamantyloxy)phenyl]ethynyl]pyridine-3-carboxylic acid CAS Name: 6-[2-[2-(1-adamantyloxy)phenyl]ethynyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[2-[2-(1-adamantyloxy)phenyl]ethynyl]pyridine-3-carboxylic acid Traditional Name: 6-[2-[2-(1-adamantyloxy)phenyl]ethynyl]nicotinic acid Formula: C24H23NO3 MolecularWeight: 373.44432

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OC4=CC=CC=C4C#CC5=NC=C(C=C5)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OC4=CC=CC=C4C#CC5=NC=C(C=C5)C(=O)O

InChI

InChI=1S/C24H23NO3/c26-23(27)20-6-8-21(25-15-20)7-5-19-3-1-2-4-22(19)28-24-12-16-9-17(13-24)11-18(10-16)14-24/h1-4,6,8,15-18H,9-14H2,(H,26,27)