1-[2,6-bis(fluoranyl)phenyl]-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 1-[2,6-bis(fluoranyl)phenyl]-1H-isoquinoline-2-carboxylic acid Openeye Name: 1-(2,6-difluorophenyl)-1H-isoquinoline-2-carboxylic acid CAS Name: 1-(2,6-difluorophenyl)-1H-isoquinoline-2-carboxylic acid IUPAC Name: 1-(2,6-difluorophenyl)-1H-isoquinoline-2-carboxylic acid Traditional Name: 1-(2,6-difluorophenyl)-1H-isoquinoline-2-carboxylic acid Formula: C16H11F2NO2 MolecularWeight: 287.260846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(N(C=CC2=C1)C(=O)O)C3=C(C=CC=C3F)F

Isomeric SMILES

C1=CC=C2C(N(C=CC2=C1)C(=O)O)C3=C(C=CC=C3F)F

InChI

InChI=1S/C16H11F2NO2/c17-12-6-3-7-13(18)14(12)15-11-5-2-1-4-10(11)8-9-19(15)16(20)21/h1-9,15H,(H,20,21)