2-[[4-oxidanyl-6-[4-(trifluoromethyl)phenoxy]isoquinolin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-oxidanyl-6-[4-(trifluoromethyl)phenoxy]isoquinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-hydroxy-6-[4-(trifluoromethyl)phenoxy]isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[4-hydroxy-6-[4-(trifluoromethyl)phenoxy]-3-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-hydroxy-6-[4-(trifluoromethyl)phenoxy]isoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[4-hydroxy-6-[4-(trifluoromethyl)phenoxy]isoquinoline-3-carbonyl]amino]acetic acid Formula: C19H13F3N2O5 MolecularWeight: 406.31213

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(F)(F)F)OC2=CC3=C(C(=NC=C3C=C2)C(=O)NCC(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1C(F)(F)F)OC2=CC3=C(C(=NC=C3C=C2)C(=O)NCC(=O)O)O

InChI

InChI=1S/C19H13F3N2O5/c20-19(21,22)11-2-5-12(6-3-11)29-13-4-1-10-8-23-16(17(27)14(10)7-13)18(28)24-9-15(25)26/h1-8,27H,9H2,(H,24,28)(H,25,26)