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

Systemtic Name: 2-[[7-(3-chloranyl-4-fluoranyl-phenoxy)-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[7-(3-chloro-4-fluoro-phenoxy)-4-hydroxy-isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[7-(3-chloro-4-fluorophenoxy)-4-hydroxy-3-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[7-(3-chloro-4-fluorophenoxy)-4-hydroxyisoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[7-(3-chloro-4-fluoro-phenoxy)-4-hydroxy-isoquinoline-3-carbonyl]amino]acetic acid Formula: C18H12ClFN2O5 MolecularWeight: 390.749683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=NC=C2C=C1OC3=CC(=C(C=C3)F)Cl)C(=O)NCC(=O)O)O

Isomeric SMILES

C1=CC2=C(C(=NC=C2C=C1OC3=CC(=C(C=C3)F)Cl)C(=O)NCC(=O)O)O

InChI

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