1-[2,2,2-tris(fluoranyl)ethylamino]isoquinoline-3-carboxylic acid

Systemtic Name: 1-[2,2,2-tris(fluoranyl)ethylamino]isoquinoline-3-carboxylic acid Openeye Name: 1-(2,2,2-trifluoroethylamino)isoquinoline-3-carboxylic acid CAS Name: 1-(2,2,2-trifluoroethylamino)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(2,2,2-trifluoroethylamino)isoquinoline-3-carboxylic acid Traditional Name: 1-(2,2,2-trifluoroethylamino)isoquinoline-3-carboxylic acid Formula: C12H9F3N2O2 MolecularWeight: 270.20727

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N=C2NCC(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N=C2NCC(F)(F)F)C(=O)O

InChI

InChI=1S/C12H9F3N2O2/c13-12(14,15)6-16-10-8-4-2-1-3-7(8)5-9(17-10)11(18)19/h1-5H,6H2,(H,16,17)(H,18,19)