[6,6-bis(fluoranyl)-5-methyl-hex-5-enyl] isoquinoline-3-carboxylate

Systemtic Name: [6,6-bis(fluoranyl)-5-methyl-hex-5-enyl] isoquinoline-3-carboxylate Openeye Name: (6,6-difluoro-5-methyl-hex-5-enyl) isoquinoline-3-carboxylate CAS Name: 3-isoquinolinecarboxylic acid (6,6-difluoro-5-methylhex-5-enyl) ester IUPAC Name: (6,6-difluoro-5-methylhex-5-enyl) isoquinoline-3-carboxylate Traditional Name: isoquinoline-3-carboxylic acid (6,6-difluoro-5-methyl-hex-5-enyl) ester Formula: C17H17F2NO2 MolecularWeight: 305.319186

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(F)F)CCCCOC(=O)C1=CC2=CC=CC=C2C=N1

Isomeric SMILES

CC(=C(F)F)CCCCOC(=O)C1=CC2=CC=CC=C2C=N1

InChI

InChI=1S/C17H17F2NO2/c1-12(16(18)19)6-4-5-9-22-17(21)15-10-13-7-2-3-8-14(13)11-20-15/h2-3,7-8,10-11H,4-6,9H2,1H3