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

Systemtic Name: ethyl 6-[2-(2,3,3,6,6-pentamethylcyclohexen-1-yl)ethynyl]isoquinoline-3-carboxylate Openeye Name: ethyl 6-[2-(2,3,3,6,6-pentamethylcyclohexen-1-yl)ethynyl]isoquinoline-3-carboxylate CAS Name: 6-[2-(2,3,3,6,6-pentamethyl-1-cyclohexenyl)ethynyl]-3-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(2,3,3,6,6-pentamethylcyclohexen-1-yl)ethynyl]isoquinoline-3-carboxylate Traditional Name: 6-[2-(2,3,3,6,6-pentamethylcyclohexen-1-yl)ethynyl]isoquinoline-3-carboxylic acid ethyl ester Formula: C25H29NO2 MolecularWeight: 375.50326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO2/c1-7-28-23(27)22-15-20-14-18(8-10-19(20)16-26-22)9-11-21-17(2)24(3,4)12-13-25(21,5)6/h8,10,14-16H,7,12-13H2,1-6H3