2-[[1-cyano-6-(4-fluoranylphenoxy)-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[1-cyano-6-(4-fluoranylphenoxy)-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[1-cyano-6-(4-fluorophenoxy)-4-hydroxy-isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[1-cyano-6-(4-fluorophenoxy)-4-hydroxy-3-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[1-cyano-6-(4-fluorophenoxy)-4-hydroxyisoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[1-cyano-6-(4-fluorophenoxy)-4-hydroxy-isoquinoline-3-carbonyl]amino]acetic acid Formula: C19H12FN3O5 MolecularWeight: 381.314083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC2=CC3=C(C(=NC(=C3C=C2)C#N)C(=O)NCC(=O)O)O)F

Isomeric SMILES

C1=CC(=CC=C1OC2=CC3=C(C(=NC(=C3C=C2)C#N)C(=O)NCC(=O)O)O)F

InChI

InChI=1S/C19H12FN3O5/c20-10-1-3-11(4-2-10)28-12-5-6-13-14(7-12)18(26)17(23-15(13)8-21)19(27)22-9-16(24)25/h1-7,26H,9H2,(H,22,27)(H,24,25)