ethyl 6-[2-[2-[2-(1-adamantyl)oxan-2-yl]oxyphenyl]ethynyl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[2-[2-[2-(1-adamantyl)oxan-2-yl]oxyphenyl]ethynyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[2-[2-[2-(1-adamantyl)tetrahydropyran-2-yl]oxyphenyl]ethynyl]pyridine-3-carboxylate CAS Name: 6-[2-[2-[[2-(1-adamantyl)-2-oxanyl]oxy]phenyl]ethynyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-[2-[2-(1-adamantyl)oxan-2-yl]oxyphenyl]ethynyl]pyridine-3-carboxylate Traditional Name: 6-[2-[2-[2-(1-adamantyl)tetrahydropyran-2-yl]oxyphenyl]ethynyl]nicotinic acid ethyl ester Formula: C31H35NO4 MolecularWeight: 485.6139

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)C#CC2=CC=CC=C2OC3(CCCCO3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)C#CC2=CC=CC=C2OC3(CCCCO3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H35NO4/c1-2-34-29(33)26-10-12-27(32-21-26)11-9-25-7-3-4-8-28(25)36-31(13-5-6-14-35-31)30-18-22-15-23(19-30)17-24(16-22)20-30/h3-4,7-8,10,12,21-24H,2,5-6,13-20H2,1H3