ethyl 6-[2-(8,8-dimethyl-5-oxidanylidene-6,7-dihydronaphthalen-2-yl)ethynyl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[2-(8,8-dimethyl-5-oxidanylidene-6,7-dihydronaphthalen-2-yl)ethynyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[2-(4,4-dimethyl-1-oxo-tetralin-6-yl)ethynyl]pyridine-3-carboxylate CAS Name: 6-[2-(8,8-dimethyl-5-oxo-6,7-dihydronaphthalen-2-yl)ethynyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(8,8-dimethyl-5-oxo-6,7-dihydronaphthalen-2-yl)ethynyl]pyridine-3-carboxylate Traditional Name: 6-[2-(1-keto-4,4-dimethyl-tetralin-6-yl)ethynyl]nicotinic acid ethyl ester Formula: C22H21NO3 MolecularWeight: 347.40704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)C#CC2=CC3=C(C=C2)C(=O)CCC3(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)C#CC2=CC3=C(C=C2)C(=O)CCC3(C)C

InChI

InChI=1S/C22H21NO3/c1-4-26-21(25)16-7-9-17(23-14-16)8-5-15-6-10-18-19(13-15)22(2,3)12-11-20(18)24/h6-7,9-10,13-14H,4,11-12H2,1-3H3