3,3-dimethylbutyl 6-[2-(2-hydroxyphenyl)ethynyl]pyridine-3-carboxylate

Systemtic Name: 3,3-dimethylbutyl 6-[2-(2-hydroxyphenyl)ethynyl]pyridine-3-carboxylate Openeye Name: 3,3-dimethylbutyl 6-[2-(2-hydroxyphenyl)ethynyl]pyridine-3-carboxylate CAS Name: 6-[2-(2-hydroxyphenyl)ethynyl]-3-pyridinecarboxylic acid 3,3-dimethylbutyl ester IUPAC Name: 3,3-dimethylbutyl 6-[2-(2-hydroxyphenyl)ethynyl]pyridine-3-carboxylate Traditional Name: 6-[2-(2-hydroxyphenyl)ethynyl]nicotinic acid 3,3-dimethylbutyl ester Formula: C20H21NO3 MolecularWeight: 323.38564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCOC(=O)C1=CN=C(C=C1)C#CC2=CC=CC=C2O

Isomeric SMILES

CC(C)(C)CCOC(=O)C1=CN=C(C=C1)C#CC2=CC=CC=C2O

InChI

InChI=1S/C20H21NO3/c1-20(2,3)12-13-24-19(23)16-9-11-17(21-14-16)10-8-15-6-4-5-7-18(15)22/h4-7,9,11,14,22H,12-13H2,1-3H3