2-[[4-oxidanyl-7-(trifluoromethyloxy)isoquinolin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-oxidanyl-7-(trifluoromethyloxy)isoquinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-hydroxy-7-(trifluoromethoxy)isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[4-hydroxy-7-(trifluoromethoxy)-3-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-hydroxy-7-(trifluoromethoxy)isoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[4-hydroxy-7-(trifluoromethoxy)isoquinoline-3-carbonyl]amino]acetic acid Formula: C13H9F3N2O5 MolecularWeight: 330.21617

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=NC=C2C=C1OC(F)(F)F)C(=O)NCC(=O)O)O

Isomeric SMILES

C1=CC2=C(C(=NC=C2C=C1OC(F)(F)F)C(=O)NCC(=O)O)O

InChI

InChI=1S/C13H9F3N2O5/c14-13(15,16)23-7-1-2-8-6(3-7)4-17-10(11(8)21)12(22)18-5-9(19)20/h1-4,21H,5H2,(H,18,22)(H,19,20)