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

Systemtic Name: ethyl 6-[2-(2,6,6-trimethylcyclohexen-1-yl)ethynyl]isoquinoline-3-carboxylate Openeye Name: ethyl 6-[2-(2,6,6-trimethylcyclohexen-1-yl)ethynyl]isoquinoline-3-carboxylate CAS Name: 6-[2-(2,6,6-trimethyl-1-cyclohexenyl)ethynyl]-3-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(2,6,6-trimethylcyclohexen-1-yl)ethynyl]isoquinoline-3-carboxylate Traditional Name: 6-[2-(2,6,6-trimethylcyclohexen-1-yl)ethynyl]isoquinoline-3-carboxylic acid ethyl ester Formula: C23H25NO2 MolecularWeight: 347.4501

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC=C2C=CC(=CC2=C1)C#CC3=C(CCCC3(C)C)C

Isomeric SMILES

CCOC(=O)C1=NC=C2C=CC(=CC2=C1)C#CC3=C(CCCC3(C)C)C

InChI

InChI=1S/C23H25NO2/c1-5-26-22(25)21-14-19-13-17(8-10-18(19)15-24-21)9-11-20-16(2)7-6-12-23(20,3)4/h8,10,13-15H,5-7,12H2,1-4H3