ethyl 6-[2-(3,3,6,6-tetramethylcyclohexen-1-yl)ethynyl]quinoline-3-carboxylate

Systemtic Name: ethyl 6-[2-(3,3,6,6-tetramethylcyclohexen-1-yl)ethynyl]quinoline-3-carboxylate Openeye Name: ethyl 6-[2-(3,3,6,6-tetramethylcyclohexen-1-yl)ethynyl]quinoline-3-carboxylate CAS Name: 6-[2-(3,3,6,6-tetramethyl-1-cyclohexenyl)ethynyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(3,3,6,6-tetramethylcyclohexen-1-yl)ethynyl]quinoline-3-carboxylate Traditional Name: 6-[2-(3,3,6,6-tetramethylcyclohexen-1-yl)ethynyl]quinoline-3-carboxylic acid ethyl ester Formula: C24H27NO2 MolecularWeight: 361.47668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=CC(=CC2=C1)C#CC3=CC(CCC3(C)C)(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C2C=CC(=CC2=C1)C#CC3=CC(CCC3(C)C)(C)C

InChI

InChI=1S/C24H27NO2/c1-6-27-22(26)19-14-18-13-17(8-10-21(18)25-16-19)7-9-20-15-23(2,3)11-12-24(20,4)5/h8,10,13-16H,6,11-12H2,1-5H3