ethyl 6-[2-[2-(1-adamantyloxy)phenyl]ethynyl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[2-[2-(1-adamantyloxy)phenyl]ethynyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[2-[2-(1-adamantyloxy)phenyl]ethynyl]pyridine-3-carboxylate CAS Name: 6-[2-[2-(1-adamantyloxy)phenyl]ethynyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-[2-(1-adamantyloxy)phenyl]ethynyl]pyridine-3-carboxylate Traditional Name: 6-[2-[2-(1-adamantyloxy)phenyl]ethynyl]nicotinic acid ethyl ester Formula: C26H27NO3 MolecularWeight: 401.49748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)C#CC2=CC=CC=C2OC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)C#CC2=CC=CC=C2OC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H27NO3/c1-2-29-25(28)22-8-10-23(27-17-22)9-7-21-5-3-4-6-24(21)30-26-14-18-11-19(15-26)13-20(12-18)16-26/h3-6,8,10,17-20H,2,11-16H2,1H3