ethyl 6-[2-[4-tert-butyl-3-(oxan-2-yloxy)phenyl]ethynyl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[2-[4-tert-butyl-3-(oxan-2-yloxy)phenyl]ethynyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[2-(4-tert-butyl-3-tetrahydropyran-2-yloxy-phenyl)ethynyl]pyridine-3-carboxylate CAS Name: 6-[2-[4-tert-butyl-3-(2-oxanyloxy)phenyl]ethynyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-[4-tert-butyl-3-(oxan-2-yloxy)phenyl]ethynyl]pyridine-3-carboxylate Traditional Name: 6-[2-(4-tert-butyl-3-tetrahydropyran-2-yloxy-phenyl)ethynyl]nicotinic acid ethyl ester Formula: C25H29NO4 MolecularWeight: 407.50206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)C#CC2=CC(=C(C=C2)C(C)(C)C)OC3CCCCO3

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)C#CC2=CC(=C(C=C2)C(C)(C)C)OC3CCCCO3

InChI

InChI=1S/C25H29NO4/c1-5-28-24(27)19-11-13-20(26-17-19)12-9-18-10-14-21(25(2,3)4)22(16-18)30-23-8-6-7-15-29-23/h10-11,13-14,16-17,23H,5-8,15H2,1-4H3