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

Systemtic Name: 2-[[7-[4-(4-fluoranylphenoxy)phenoxy]-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[7-[4-(4-fluorophenoxy)phenoxy]-4-hydroxy-isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[7-[4-(4-fluorophenoxy)phenoxy]-4-hydroxy-3-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[7-[4-(4-fluorophenoxy)phenoxy]-4-hydroxyisoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[7-[4-(4-fluorophenoxy)phenoxy]-4-hydroxy-isoquinoline-3-carbonyl]amino]acetic acid Formula: C24H17FN2O6 MolecularWeight: 448.399983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC2=CC=C(C=C2)F)OC3=CC4=CN=C(C(=C4C=C3)O)C(=O)NCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1OC2=CC=C(C=C2)F)OC3=CC4=CN=C(C(=C4C=C3)O)C(=O)NCC(=O)O

InChI

InChI=1S/C24H17FN2O6/c25-15-1-3-16(4-2-15)32-17-5-7-18(8-6-17)33-19-9-10-20-14(11-19)12-26-22(23(20)30)24(31)27-13-21(28)29/h1-12,30H,13H2,(H,27,31)(H,28,29)