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

Systemtic Name: 2-[[1-chloranyl-6-(4-fluoranylphenoxy)-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[1-chloro-6-(4-fluorophenoxy)-4-hydroxy-isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[1-chloro-6-(4-fluorophenoxy)-4-hydroxy-3-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[1-chloro-6-(4-fluorophenoxy)-4-hydroxyisoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[1-chloro-6-(4-fluorophenoxy)-4-hydroxy-isoquinoline-3-carbonyl]amino]acetic acid Formula: C18H12ClFN2O5 MolecularWeight: 390.749683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC2=CC3=C(C=C2)C(=NC(=C3O)C(=O)NCC(=O)O)Cl)F

Isomeric SMILES

C1=CC(=CC=C1OC2=CC3=C(C=C2)C(=NC(=C3O)C(=O)NCC(=O)O)Cl)F

InChI

InChI=1S/C18H12ClFN2O5/c19-17-12-6-5-11(27-10-3-1-9(20)2-4-10)7-13(12)16(25)15(22-17)18(26)21-8-14(23)24/h1-7,25H,8H2,(H,21,26)(H,23,24)