ethyl 6-[2-(5,5-dimethyl-8-oxidanyl-7,8-dihydro-6H-naphthalen-2-yl)ethynyl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[2-(5,5-dimethyl-8-oxidanyl-7,8-dihydro-6H-naphthalen-2-yl)ethynyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[2-(4-hydroxy-1,1-dimethyl-tetralin-6-yl)ethynyl]pyridine-3-carboxylate CAS Name: 6-[2-(8-hydroxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)ethynyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(8-hydroxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)ethynyl]pyridine-3-carboxylate Traditional Name: 6-[2-(4-hydroxy-1,1-dimethyl-tetralin-6-yl)ethynyl]nicotinic acid ethyl ester Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)C#CC2=CC3=C(C=C2)C(CCC3O)(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)C#CC2=CC3=C(C=C2)C(CCC3O)(C)C

InChI

InChI=1S/C22H23NO3/c1-4-26-21(25)16-7-9-17(23-14-16)8-5-15-6-10-19-18(13-15)20(24)11-12-22(19,2)3/h6-7,9-10,13-14,20,24H,4,11-12H2,1-3H3