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

Systemtic Name: 2-[[4-oxidanyl-7-[4-(trifluoromethyloxy)phenoxy]isoquinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-hydroxy-7-[4-(trifluoromethoxy)phenoxy]isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[4-hydroxy-7-[4-(trifluoromethoxy)phenoxy]-3-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-hydroxy-7-[4-(trifluoromethoxy)phenoxy]isoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[4-hydroxy-7-[4-(trifluoromethoxy)phenoxy]isoquinoline-3-carbonyl]amino]acetic acid Formula: C19H13F3N2O6 MolecularWeight: 422.31153

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC2=CC3=CN=C(C(=C3C=C2)O)C(=O)NCC(=O)O)OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1OC2=CC3=CN=C(C(=C3C=C2)O)C(=O)NCC(=O)O)OC(F)(F)F

InChI

InChI=1S/C19H13F3N2O6/c20-19(21,22)30-12-3-1-11(2-4-12)29-13-5-6-14-10(7-13)8-23-16(17(14)27)18(28)24-9-15(25)26/h1-8,27H,9H2,(H,24,28)(H,25,26)