2-[[7-(3-fluoranyl-5-methoxy-phenoxy)-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[7-(3-fluoranyl-5-methoxy-phenoxy)-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[7-(3-fluoro-5-methoxy-phenoxy)-4-hydroxy-isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[7-(3-fluoro-5-methoxyphenoxy)-4-hydroxy-3-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[7-(3-fluoro-5-methoxyphenoxy)-4-hydroxyisoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[7-(3-fluoro-5-methoxy-phenoxy)-4-hydroxy-isoquinoline-3-carbonyl]amino]acetic acid Formula: C19H15FN2O6 MolecularWeight: 386.330603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)OC2=CC3=CN=C(C(=C3C=C2)O)C(=O)NCC(=O)O)F

Isomeric SMILES

COC1=CC(=CC(=C1)OC2=CC3=CN=C(C(=C3C=C2)O)C(=O)NCC(=O)O)F

InChI

InChI=1S/C19H15FN2O6/c1-27-13-5-11(20)6-14(7-13)28-12-2-3-15-10(4-12)8-21-17(18(15)25)19(26)22-9-16(23)24/h2-8,25H,9H2,1H3,(H,22,26)(H,23,24)