ethyl 6-[2-[2-(oxan-2-yloxy)phenyl]ethynyl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[2-[2-(oxan-2-yloxy)phenyl]ethynyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[2-(2-tetrahydropyran-2-yloxyphenyl)ethynyl]pyridine-3-carboxylate CAS Name: 6-[2-[2-(2-oxanyloxy)phenyl]ethynyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-[2-(oxan-2-yloxy)phenyl]ethynyl]pyridine-3-carboxylate Traditional Name: 6-[2-(2-tetrahydropyran-2-yloxyphenyl)ethynyl]nicotinic acid ethyl ester Formula: C21H21NO4 MolecularWeight: 351.39574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)C#CC2=CC=CC=C2OC3CCCCO3

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)C#CC2=CC=CC=C2OC3CCCCO3

InChI

InChI=1S/C21H21NO4/c1-2-24-21(23)17-11-13-18(22-15-17)12-10-16-7-3-4-8-19(16)26-20-9-5-6-14-25-20/h3-4,7-8,11,13,15,20H,2,5-6,9,14H2,1H3