ethyl 6-[2-(3-tert-butylphenyl)ethynyl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[2-(3-tert-butylphenyl)ethynyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[2-(3-tert-butylphenyl)ethynyl]pyridine-3-carboxylate CAS Name: 6-[2-(3-tert-butylphenyl)ethynyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(3-tert-butylphenyl)ethynyl]pyridine-3-carboxylate Traditional Name: 6-[2-(3-tert-butylphenyl)ethynyl]nicotinic acid ethyl ester Formula: C20H21NO2 MolecularWeight: 307.38624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO2/c1-5-23-19(22)16-10-12-18(21-14-16)11-9-15-7-6-8-17(13-15)20(2,3)4/h6-8,10,12-14H,5H2,1-4H3