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

Systemtic Name: 2-[[7-[bis(fluoranyl)methoxy]-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[7-(difluoromethoxy)-4-hydroxy-isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[7-(difluoromethoxy)-4-hydroxy-3-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[7-(difluoromethoxy)-4-hydroxyisoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[7-(difluoromethoxy)-4-hydroxy-isoquinoline-3-carbonyl]amino]acetic acid Formula: C13H10F2N2O5 MolecularWeight: 312.225706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=NC=C2C=C1OC(F)F)C(=O)NCC(=O)O)O

Isomeric SMILES

C1=CC2=C(C(=NC=C2C=C1OC(F)F)C(=O)NCC(=O)O)O

InChI

InChI=1S/C13H10F2N2O5/c14-13(15)22-7-1-2-8-6(3-7)4-16-10(11(8)20)12(21)17-5-9(18)19/h1-4,13,20H,5H2,(H,17,21)(H,18,19)