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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO2/c1-6-27-22(26)21-14-19-13-17(7-9-18(19)16-25-21)8-10-20-15-23(2,3)11-12-24(20,4)5/h7,9,13-16H,6,11-12H2,1-5H3