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

Systemtic Name: ethyl 6-[2-(6,6-dimethylcyclohexen-1-yl)ethynyl]isoquinoline-3-carboxylate Openeye Name: ethyl 6-[2-(6,6-dimethylcyclohexen-1-yl)ethynyl]isoquinoline-3-carboxylate CAS Name: 6-[2-(6,6-dimethyl-1-cyclohexenyl)ethynyl]-3-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(6,6-dimethylcyclohexen-1-yl)ethynyl]isoquinoline-3-carboxylate Traditional Name: 6-[2-(6,6-dimethylcyclohexen-1-yl)ethynyl]isoquinoline-3-carboxylic acid ethyl ester Formula: C22H23NO2 MolecularWeight: 333.42352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC=C2C=CC(=CC2=C1)C#CC3=CCCCC3(C)C

Isomeric SMILES

CCOC(=O)C1=NC=C2C=CC(=CC2=C1)C#CC3=CCCCC3(C)C

InChI

InChI=1S/C22H23NO2/c1-4-25-21(24)20-14-18-13-16(8-10-17(18)15-23-20)9-11-19-7-5-6-12-22(19,2)3/h7-8,10,13-15H,4-6,12H2,1-3H3